Cyclohexene, 4-((1Z)-1,5-dimethyl-1,4-hexadienyl)-1-methyl-, (4S)-
PubChem CID: 24798702
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| Compound Synonyms | (S,Z)-alpha-bisabolene, UNII-L0VRY82PKO, alpha-Bisabolene, (Z)-, L0VRY82PKO, 58845-44-6, Cyclohexene, 4-((1Z)-1,5-dimethyl-1,4-hexadienyl)-1-methyl-, (4S)-, Cyclohexene, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-, (S-(Z))-, Cyclohexene, 4-((1Z)-1,5-dimethyl-1,4-hexadien-1-yl)-1-methyl-, (4S)-, (1S,9Z)-bisabola-4,7(11),9-triene (4S)-4-[(1Z)-1,5-dimethylhexa-1,4-dien-1-yl]-1-methylcyclohexene, CHEBI:49246, .ALPHA.-BISABOLENE, (Z)-, LMPR0103060011, (1S,9Z)-bisabola-4,7(11),9-triene, Q27121560, (4S)-4-[(1Z)-1,5-dimethylhexa-1,4-dien-1-yl]-1-methylcyclohexene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 285.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4S)-1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YHBUQBJHSRGZNF-XIEDVDOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.193 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.633 |
| Compound Name | Cyclohexene, 4-((1Z)-1,5-dimethyl-1,4-hexadienyl)-1-methyl-, (4S)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.915813399999999 |
| Inchi | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7-/t15-/m1/s1 |
| Smiles | CC1=CC[C@H](CC1)/C(=C\CC=C(C)C)/C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients