Caryophylla-4(14), 8(15)-dien-5-ol
PubChem CID: 6428430
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| Compound Synonyms | Caryophylla-4(14), 8(15)-dien-5-ol, 5-.alpha.-Hydroxycaryophylla-4(12),8(13)-diene |
|---|---|
| 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 | 1.0 |
| Iupac Name | (5S)-10,10-dimethyl-2,6-dimethylidenebicyclo[7.2.0]undecan-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CIIYOYPOMGIECX-RUXDESIVSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -4.281 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.779 |
| Compound Name | Caryophylla-4(14), 8(15)-dien-5-ol |
| Prediction Hob Swissadme | 0.0 |
| 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 | -3.2978072000000003 |
| Inchi | InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3/t12?,13?,14-/m0/s1 |
| Smiles | CC1(CC2C1CCC(=C)[C@H](CCC2=C)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients