Ethyl 1-(iodomethyl)-3,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate
Structure Info
- Chemspace ID
- CSSB00102952799 (In-Stock Building Blocks)
- CAS
- 2219374-96-4
- MFCD
- MFCD31665523
- IUPAC Name
- ethyl 1-(iodomethyl)-3,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate
- Mol formula
- C11H17IO3
- Mol weight
- 324 Da
- Catalog Number(s)
- AGN-PC-3H5G1O, AR01FITF, AY02743, ArZ-UP191753, BB4LS-EN300-1703281, BBLS00102952799, BBV-136607393, BD01338996, CSC102952799, EN300-1703281, UND37496, Y3127141, ZX-NM235028, ZXC289297, bbls00102952799
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.3
- Heavy atoms count
- 15
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.909
- Polar surface area (Å)
- 36
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
![Chemical structure of Ethyl 1-(iodomethyl)-3,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate (C11H17IO3) - CSSB00102952799](/st/structure/200/076f559cafb2b4327c4e63ada36aa49f/CCOC%2528%253DO%2529C12CC%2528CI%2529%2528C1%2529OC2%2528C%2529C.png "C11H17IO3")
- Zoom the structure
- CSSB00102952799
Items Overall 19 items from 4 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 190.17 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 264.70 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 377.00 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 467.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 574.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 315.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 470.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 672.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 1,058.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 1,357.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 2,660.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 315.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 470.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 672.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 190.17 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 264.70 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 377.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 467.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 574.00 |
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Substructure Analogs
![Chemical structure of ethyl (1r,4r)-1-(iodomethyl)-3,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate - CSSB06617201009](/st/structure/200/8b0da9698bdfc132ed63cb7cd3085a23/CCOC%2528%253DO%2529%255BC%2540%255D1%2528C%255BC%2540%2540%255D2%2528CI%2529C1%2529C%2528C%2529%2528C%2529O2.png)
![Chemical structure of ethyl 4-(iodomethyl)-3-oxaspiro[bicyclo[2.1.1]hexane-2,1'-cyclobutane]-1-carboxylate - CSSB00102954462](/st/structure/200/5d58b7f4d6dfbfbb464dc58e2e6c545d/CCOC%2528%253DO%2529C12CC%2528CI%2529%2528C1%2529OC21CCC1.png)
![Chemical structure of ethyl (1r,4r)-4-(iodomethyl)-3-oxaspiro[bicyclo[2.1.1]hexane-2,1'-cyclobutane]-1-carboxylate - CSSB06741646957](/st/structure/200/20a60a343a6c70328a516d340ba0c664/CCOC%2528%253DO%2529%255BC%2540%255D1%2528C%255BC%2540%2540%255D2%2528CI%2529C1%2529C3%2528CCC3%2529O2.png)
![Chemical structure of ethyl 4-(iodomethyl)-3-oxaspiro[bicyclo[2.1.1]hexane-2,3'-oxetane]-1-carboxylate - CSSB00102953886](/st/structure/200/64d544c206fe16dcc637db5533dcb751/CCOC%2528%253DO%2529C12CC%2528CI%2529%2528C1%2529OC21COC1.png)
![Chemical structure of ethyl (1r,4r)-4-(iodomethyl)-3-oxaspiro[bicyclo[2.1.1]hexane-2,3'-oxetane]-1-carboxylate - CSSB06443175077](/st/structure/200/8f4c8e4a04feb06d16c3f12254f1480a/CCOC%2528%253DO%2529%255BC%2540%255D1%2528C%255BC%2540%2540%255D2%2528CI%2529C1%2529C3%2528COC3%2529O2.png)
![Chemical structure of ethyl 4-(iodomethyl)-3-oxaspiro[bicyclo[2.1.1]hexane-2,4'-oxane]-1-carboxylate - CSSB00102954461](/st/structure/200/ffc10dde1e26a21190aef1c5f83f7f04/CCOC%2528%253DO%2529C12CC%2528CI%2529%2528C1%2529OC21CCOCC1.png)
![Chemical structure of ethyl (1r,4r)-4-(iodomethyl)-3-oxaspiro[bicyclo[2.1.1]hexane-2,4'-oxane]-1-carboxylate - CSSB06446547076](/st/structure/200/aba56260be51f843c6e488e723119d89/CCOC%2528%253DO%2529%255BC%2540%255D12C%255BC%2540%255D%2528CI%2529%2528C1%2529OC21CCOCC1.png)
Similarity Analogs
![Chemical structure of ethyl (1r,4r)-1-(hydroxymethyl)-3,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate - CSSB06442430488](/st/structure/200/e06be9c4887649c1eb0672349dcb4987/CCOC%2528%253DO%2529%255BC%2540%255D1%2528C%255BC%2540%2540%255D2%2528CO%2529C1%2529C%2528C%2529%2528C%2529O2.png)
![Chemical structure of ethyl 1-(hydroxymethyl)-3,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate - CSSB00103147633](/st/structure/200/fa03440a7b868ba3029c5e76088cc56d/CCOC%2528%253DO%2529C12CC%2528CO%2529%2528C1%2529OC2%2528C%2529C.png)
![Chemical structure of ethyl 1-(chloromethyl)-3,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate - CSSB21246280707](/st/structure/200/eba36eff04744a3df9e5c74ce01b41ac/CCOC%2528%253DO%2529C12CC%2528CCl%2529%2528C1%2529OC2%2528C%2529C.png)
![Chemical structure of ethyl 1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate - CSSB01217636585](/st/structure/200/cb3b14a15511c41fc776d4c4465bdac0/CCOC%2528%253DO%2529C12CC%2528C%2529%2528C1%2529OC2%2528C%2529C.png)
![Chemical structure of ethyl (1r,4r)-1-(aminomethyl)-3,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate - CSSB06440916084](/st/structure/200/e15d57aa65b1bd11514309947b9db44c/CCOC%2528%253DO%2529%255BC%2540%255D1%2528C%255BC%2540%2540%255D2%2528CN%2529C1%2529C%2528C%2529%2528C%2529O2.png)
![Chemical structure of ethyl 1-(aminomethyl)-3,3-dimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylate - CSSB00102953884](/st/structure/200/060ea83b9f01fbd3d55e6e4d25d7197e/CCOC%2528%253DO%2529C12CC%2528CN%2529%2528C1%2529OC2%2528C%2529C.png)
