cis-(Z)-alpha-Bisabolene epoxide
PubChem CID: 91753574
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| Compound Synonyms | PBNXUEQZNAEDOI-NOYMGPGASA-N, cis-(Z)-.alpha.-Bisabolene epoxide |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3S)-2-methyl-3-(3-methylbut-2-enyl)-2-(4-methylcyclohex-3-en-1-yl)oxirane |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | PBNXUEQZNAEDOI-NOYMGPGASA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -5.047 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.174 |
| Compound Name | cis-(Z)-alpha-Bisabolene epoxide |
| 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 | -3.4085072 |
| Inchi | InChI=1S/C15H24O/c1-11(2)5-10-14-15(4,16-14)13-8-6-12(3)7-9-13/h5-6,13-14H,7-10H2,1-4H3/t13?,14-,15+/m0/s1 |
| Smiles | CC1=CCC(CC1)[C@@]2([C@@H](O2)CC=C(C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Michelia Alba (Plant) Rel Props:Source_db:cmaup_ingredients