1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Sesquiterpenoids

Organic compounds

Lipids and lipid-like molecules

Prenol lipids

Sesquiterpenoids

Calculated Property

kind Value Source
logP 6.25 ALOGPS
logS -3.9 ALOGPS
Water Solubility 2.67e-02 g/l ALOGPS
logP 4.68 ChemAxon
IUPAC Name 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohex-1-ene ChemAxon
Traditional IUPAC Name 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohex-1-ene ChemAxon
Molecular Weight 204.3511 ChemAxon
Monoisotopic Weight 204.187800768 ChemAxon
SMILES CC=C(/C)C=CC1=C(C)CCCC1(C)C ChemAxon
Molecular Formula C15H24 ChemAxon
InChI InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+ ChemAxon
InChIKey InChIKey=KUEVAPFABUUVHS-AYCKBHPDSA-N ChemAxon
Polar Surface Area (PSA) 0 ChemAxon
Refractivity 71.23 ChemAxon
Polarizability 26.78 ChemAxon
Rotatable Bond Count 2 ChemAxon
H Bond Acceptor Count 0 ChemAxon
H Bond Donor Count 0 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon