beta-Sesquiphellandren-8-ol
PubChem CID: 91749844
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| Compound Synonyms | .beta.-Sesquiphellandren-8-ol, COLXZUVHIZOLPD-GRKKQISMSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-6-methyl-2-[(1S)-4-methylidenecyclohex-2-en-1-yl]hept-5-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | COLXZUVHIZOLPD-GRKKQISMSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.229 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.972 |
| Compound Name | beta-Sesquiphellandren-8-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 | -3.6197071999999997 |
| Inchi | InChI=1S/C15H24O/c1-11(2)5-10-15(16)13(4)14-8-6-12(3)7-9-14/h5-6,8,13-16H,3,7,9-10H2,1-2,4H3/t13-,14-,15?/m1/s1 |
| Smiles | C[C@H]([C@H]1CCC(=C)C=C1)C(CC=C(C)C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Source_db:cmaup_ingredients