[(1S,2R,6R,7R,10R,13S)-2,6,12-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methanol
PubChem CID: 101615210
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 480.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | [(1S,2R,6R,7R,10R,13S)-2,6,12-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C20H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | TUSCOQSQOOTGAW-APNJTCTJSA-N |
| Fcsp3 | 0.9 |
| Logs | -4.954 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.981 |
| Compound Name | [(1S,2R,6R,7R,10R,13S)-2,6,12-trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 288.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.9267449999999995 |
| Inchi | InChI=1S/C20H32O/c1-14-11-16-5-6-17-18(2,13-21)8-4-9-19(17,3)20(16)10-7-15(14)12-20/h11,15-17,21H,4-10,12-13H2,1-3H3/t15-,16+,17-,18-,19+,20-/m0/s1 |
| Smiles | CC1=C[C@H]2CC[C@H]3[C@](CCC[C@]3([C@]24CC[C@H]1C4)C)(C)CO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Maculata (Plant) Rel Props:Source_db:cmaup_ingredients