1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene
PubChem CID: 6428861
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| Compound Synonyms | .delta.-bisabolene, 451-55-8, 1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene, .gamma.-Curcumene, Curcumene, .gamma.-, DTXSID20423873, NGIVKZGKEPRIGG-UHFFFAOYSA-N, 1,3-Cyclohexadiene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, 1-(1,5-Dimethyl-4-hexen-1-yl)-4-methyl-1,3-cyclohexadiene, 1-(1,5-Dimethyl-4-hexen-1-yl)-4-methyl-1,3-cyclohexadiene (9CI), 1,3-Cyclohexadiene, 1-(1,5-dimethyl-4-hexen-1-yl)-4-methyl- |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | NGIVKZGKEPRIGG-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 15.0 |
| Compound Name | 1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 285.0 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.761613399999999 |
| Inchi | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14H,5,7,9,11H2,1-4H3 |
| Smiles | CC1=CC=C(CC1)C(C)CCC=C(C)C |
| Xlogp | 4.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H24 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Scoparia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Santalum Album (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all