(3S)-5-[(1R,5R)-2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol
PubChem CID: 163038150
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 313.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S)-5-[(1R,5R)-2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | UAQRXAWGZKFMDP-KCPJHIHWSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.217 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.024 |
| Compound Name | (3S)-5-[(1R,5R)-2,5-dimethyl-6-methylidenecyclohex-2-en-1-yl]-3-methylpent-1-en-3-ol |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8385071999999996 |
| Inchi | InChI=1S/C15H24O/c1-6-15(5,16)10-9-14-12(3)8-7-11(2)13(14)4/h6,8,11,14,16H,1,4,7,9-10H2,2-3,5H3/t11-,14-,15-/m1/s1 |
| Smiles | C[C@@H]1CC=C([C@H](C1=C)CC[C@@](C)(C=C)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients