3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol
PubChem CID: 52948707
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| Compound Synonyms | CHEMBL1254371 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Is Pains | False |
| Molecular Formula | C20H38O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KKUMGESABLODEG-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 9.0 |
| Compound Name | 3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nonan-1-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.292 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 294.292 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 294.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.3497426 |
| Inchi | InChI=1S/C20H38O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h10,16-17,19,21H,6-9,11-15H2,1-5H3 |
| Smiles | CC1=CCCC(C1CCC(C)CCCC(C)CCO)(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Paucinervis (Plant) Rel Props:Source_db:cmaup_ingredients