Methyl 5-ethynylbicyclo[3.2.1]octane-1-carboxylate
Structure Info
- Chemspace ID
- CSSB02516805669 (In-Stock Building Blocks)
- MFCD
- MFCD34666103
- IUPAC Name
- methyl 5-ethynylbicyclo[3.2.1]octane-1-carboxylate
- Mol formula
- C12H16O2
- Mol weight
- 192 Da
- Catalog Number(s)
- BB4LS-EN300-27685462, BBLS02516805669, BBV-322435236, EN300-27685462, bbls02516805669
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.35
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.75
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
![Chemical structure of Methyl 5-ethynylbicyclo[3.2.1]octane-1-carboxylate (C12H16O2) - CSSB02516805669](/st/structure/200/3e8c290b56298ccef20b8e4354e602a3/COC%2528%253DO%2529C12CCC%2528C1%2529%2528CCC2%2529C%2523C.png "C12H16O2")
- Zoom the structure
- CSSB02516805669
Items Overall 25 items from 4 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 155.02 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 206.27 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 285.46 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 349.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 465.00 | |
| 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 Ltd. | 5 days | Ukraine To: | 95 | 5 g | 3,935.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 10 g | 5,837.00 | |
| 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 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 1,058.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 1 g | 1,357.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 2.5 g | 2,660.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 5 g | 3,935.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 50 umol | 155.02 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 100 umol | 206.27 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 200 umol | 285.46 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 300 umol | 349.00 | |
| BB4LS EU | 7 days | Latvia To: | 95 | 500 umol | 465.00 |
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Substructure Analogs
![Chemical structure of rac-methyl (1R,5S)-5-ethynylbicyclo[3.2.1]octane-1-carboxylate - CSSB20620688549](/st/structure/200/348c4a6450b3b7314480818595335635/COC%2528%253DO%2529%255BC%2540%2540%255D12CC%255BC%2540%2540%255D%2528C1%2529%2528CCC2%2529C%2523C%2B%257C%25261%253A4%252C7%252Cr%257C.png)
Similarity Analogs
![Chemical structure of methyl (1s,4r)-4-ethynylbicyclo[2.2.1]heptane-1-carboxylate - CSSB20620689730](/st/structure/200/a9226f2d7f1f21d8ba2d96a3836bc6e4/COC%2528%253DO%2529%255BC%2540%2540%255D12CC%255BC%2540%2540%255D%2528CC1%2529%2528C2%2529C%2523C.png)
![Chemical structure of methyl 4-ethynylbicyclo[2.2.1]heptane-1-carboxylate - CSSB00015436340](/st/structure/200/804d3009dd812ab82f01bb3933c7ed9f/COC%2528%253DO%2529C12CCC%2528CC1%2529%2528C2%2529C%2523C.png)
![Chemical structure of methyl 5-ethynylbicyclo[3.1.1]heptane-1-carboxylate - CSSB09895216317](/st/structure/200/a0097362d9f24d345cff2f6a41928a80/COC%2528%253DO%2529C1%2528CC2%2528C1%2529C%2523C%2529CCC2.png)
![Chemical structure of methyl (1r,5s)-5-ethynylbicyclo[3.1.1]heptane-1-carboxylate - CSSB20591803981](/st/structure/200/5fdf4aaf79bab57670d267ec167d758e/COC%2528%253DO%2529%255BC%2540%2540%255D12C%255BC%2540%2540%255D%2528C1%2529%2528CCC2%2529C%2523C.png)
![Chemical structure of methyl 4-ethynylbicyclo[2.2.2]octane-1-carboxylate - CSSB20620690345](/st/structure/200/0565666d0fec62bfbf151c34a7a0a190/COC%2528%253DO%2529%255BC%2540%2540%255D12CC%255BC%2540%2540%255D%2528CC1%2529%2528CC2%2529C%2523C.png)
![Chemical structure of methyl 4-ethynylbicyclo[2.2.2]octane-1-carboxylate - CSSB00015367674](/st/structure/200/a87825dce46a7eb4a270ab8b9723c135/COC%2528%253DO%2529C12CCC%2528CC1%2529%2528CC2%2529C%2523C.png)
