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1-(1,5-Dimethyl-4-hexen-1-yl)-4-methyl-1,4-cyclohexadiene

PubChem CID: 6428461

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Compound Synonyms beta-Curcumene, .beta.-curcumene, 1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene, 72345-84-7, 1-(1,5-Dimethyl-4-hexen-1-yl)-4-methyl-1,4-cyclohexadiene, CHEBI:62759, DTXSID001197513, Q27132149, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-1,4-cyclohexadiene, 1-(1,5-dimethyl-hex-4-enyl)-4-methyl-cyclohexa-1,4-diene
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;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene
Prediction Hob 1.0
Xlogp 4.7
Molecular Formula C15H24
Prediction Swissadme 0.0
Inchi Key JXZQZARENYGJMK-UHFFFAOYSA-N
Fcsp3 0.6
Logs -5.595
Rotatable Bond Count 4.0
Logd 4.657
Compound Name 1-(1,5-Dimethyl-4-hexen-1-yl)-4-methyl-1,4-cyclohexadiene
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 0.0
Esol -4.9191134
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
Smiles CC1=CCC(=CC1)C(C)CCC=C(C)C
Nring 1.0
Defined Bond Stereocenter Count 0.0