[(1S,2E,6E,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol
PubChem CID: 10263521
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(1S,2E,6E,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol |
| Prediction Hob | 0.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DCQFUTANYUEHLR-QAFSZGABSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.945 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.152 |
| Compound Name | [(1S,2E,6E,10R,11S)-11-(hydroxymethyl)-7,11-dimethyl-3-bicyclo[8.1.0]undeca-2,6-dienyl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.2255009999999995 |
| Inchi | InChI=1S/C15H24O2/c1-11-4-3-5-12(9-16)8-14-13(7-6-11)15(14,2)10-17/h4,8,13-14,16-17H,3,5-7,9-10H2,1-2H3/b11-4+,12-8+/t13-,14+,15+/m1/s1 |
| Smiles | C/C/1=C\CC/C(=C\[C@H]2[C@H]([C@]2(C)CO)CC1)/CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Podocarpus Nubigenus (Plant) Rel Props:Source_db:cmaup_ingredients