(1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol
PubChem CID: 162672323
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4793449 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DFRLFZUOMAKBMU-GOBQXNSQSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.093 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.83 |
| Compound Name | (1R,3E,5S,8Z)-9-(hydroxymethyl)-2,2,5-trimethylcycloundeca-3,8-dien-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.0852002 |
| Inchi | InChI=1S/C15H26O2/c1-12-5-4-6-13(11-16)7-8-14(17)15(2,3)10-9-12/h6,9-10,12,14,16-17H,4-5,7-8,11H2,1-3H3/b10-9+,13-6-/t12-,14+/m0/s1 |
| Smiles | C[C@H]\1CC/C=C(/CC[C@H](C(/C=C1)(C)C)O)\CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Conocephalum Conicum (Plant) Rel Props:Source_db:cmaup_ingredients