Ethyl 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4-carboxylate
Structure Info
- Chemspace ID
- CSSB06655957255 (In-Stock Building Blocks)
- IUPAC Name
- ethyl 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4-carboxylate
- Mol formula
- C13H22O3
- Mol weight
- 226 Da
- Catalog Number(s)
- BBLS06655957255, BBV-742095025, EN300-39658804, bbls06655957255, m_1458_25934718_483918, m_1458____25934718____483918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.42
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.923
- Polar surface area (Å)
- 36
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
![Chemical structure of Ethyl 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4-carboxylate (C13H22O3) - CSSB06655957255](/st/structure/200/4477a0530923eb394d44e09abb2f611c/CCOC%2528%253DO%2529C1%2528CCC2%2528C%2529CC1%2529C%2528C%2529%2528C%2529O2.png "C13H22O3")
- Zoom the structure
- CSSB06655957255
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 1,488.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 1,559.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 1,630.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 1,702.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 1,772.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 3,472.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 5,137.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 7,620.00 |
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Substructure Analogs
![Chemical structure of ethyl (1r,4r)-1-(aminomethyl)-3,3-dimethyl-2-oxabicyclo[2.2.2]octane-4-carboxylate hydrochloride - CSSB20620688556](/st/structure/200/738e1c717fc90ad4124e3e944e8618b0/Cl.CCOC%2528%253DO%2529%255BC%2540%255D12CC%255BC%2540%255D%2528CN%2529%2528CC1%2529OC2%2528C%2529C.png)
![Chemical structure of ethyl 1-(aminomethyl)-3,3-dimethyl-2-oxabicyclo[2.2.2]octane-4-carboxylate hydrochloride - CSSB00116210328](/st/structure/200/73ef4d42c217b2b5cf4dc582477bbf28/Cl.CCOC%2528%253DO%2529C12CCC%2528CN%2529%2528CC1%2529OC2%2528C%2529C.png)
Similarity Analogs
![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 methyl 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4-carboxylate - CSSB06656447240](/st/structure/200/18ed073dd7ed51b6d05c25be987e6872/COC%2528%253DO%2529C1%2528CCC2%2528C%2529CC1%2529C%2528C%2529%2528C%2529O2.png)
![Chemical structure of ethyl 4-methyl-7-oxabicyclo[2.2.1]heptane-1-carboxylate - CSSB06779916852](/st/structure/200/14a8ec212a1cff801411f615caa079af/CCOC%2528%253DO%2529C1%2528CCC2%2528C%2529CC1%2529O2.png)
![Chemical structure of (1r,4r)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-4-carboxylic acid - CSSB20563220103](/st/structure/200/84617a3fb67491f3c783bfe55c0c9935/CC1%2528C%2529O%255BC%2540%255D2%2528C%2529CC%255BC%2540%255D1%2528CC2%2529C%2528O%2529%253DO.png)
