2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol
PubChem CID: 162675620
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| Compound Synonyms | CHEMBL4797504 |
|---|---|
| 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 | 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BDULPBCKEVQRLE-POXPZTADSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -2.578 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.678 |
| Compound Name | 2-[(1R,2E,4S,7Z)-8-(hydroxymethyl)-4-methylcyclodeca-2,7-dien-1-yl]propan-2-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 | -2.6853002 |
| Inchi | InChI=1S/C15H26O2/c1-12-5-4-6-13(11-16)8-10-14(9-7-12)15(2,3)17/h6-7,9,12,14,16-17H,4-5,8,10-11H2,1-3H3/b9-7+,13-6-/t12-,14-/m0/s1 |
| Smiles | C[C@H]\1CC/C=C(/CC[C@H](/C=C1)C(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