| CAS Number | 28976-67-2 |
| Catalog Number | AG00CF1W(AGN-PC-0R4Q0X) |
| Chemical Name | (-)-β-Curcumene |
| IUPAC Name | 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene |
| InChI | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,11,14H,5,7,9-10H2,1-4H3/t14-/m1/s1 |
| InChI Key | JXZQZARENYGJMK-CQSZACIVSA-N |
| Molecular Formula | C15H24 |
| Molecular Weight | 204.3511 |
| SMILES | CC1=CCC(=CC1)C(C)CCC=C(C)C |
| Synonyms | (-)-beta-curcumene,
beta-Curcumene,
28976-67-2,
1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene,
(R)-1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene,
1,4-Cyclohexadiene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (R)-,
CHEBI:62760,
JXZQZARENYGJMK-CQSZACIVSA-N,
.beta.-curcumene,
-1-[ -1,5-Dimethyl-4-hexenyl]-4-methyl-1,4-cyclohexadiene,
-1-[-1,5-dimethyl-4-hexenyl]-4-methyl-1,4-cyclohexadiene,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.357g/mol |
| Monoisotopic Mass | 204.188g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number