Caryophylla-4(14),8(15)-dien-5a-ol
PubChem CID: 6429047
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| Compound Synonyms | Caryophylla-4(14),8(15)-dien-5a-ol, Caryophylla-4(14),8(15)-dien-5.alpha.-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 263.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MRNBNSIHBSPJFJ-AWEZNQCLSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.749 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.679 |
| Compound Name | Caryophylla-4(14),8(15)-dien-5a-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7639063999999998 |
| Inchi | InChI=1S/C15H26O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h14,16H,1-2,5-11H2,3-4H3/t14-/m0/s1 |
| Smiles | CC1(CCCC(=C)[C@H](CCC(=C)CC1)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients