[(1R,4Z,8E,10R)-8,11,11-trimethyl-4-bicyclo[8.1.0]undeca-4,8-dienyl]methanol
PubChem CID: 162648692
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| Compound Synonyms | CHEMBL4744860 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | [(1R,4Z,8E,10R)-8,11,11-trimethyl-4-bicyclo[8.1.0]undeca-4,8-dienyl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | UEYOECMJUKCPLC-VAYGVGCUSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.917 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.88 |
| Compound Name | [(1R,4Z,8E,10R)-8,11,11-trimethyl-4-bicyclo[8.1.0]undeca-4,8-dienyl]methanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.9609072000000003 |
| Inchi | InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-13-14(9-11)15(13,2)3/h6,9,13-14,16H,4-5,7-8,10H2,1-3H3/b11-9+,12-6-/t13-,14-/m1/s1 |
| Smiles | C/C/1=C\[C@@H]2[C@H](C2(C)C)CC/C(=C/CC1)/CO |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Conocephalum Conicum (Plant) Rel Props:Source_db:cmaup_ingredients