ChemSpider 2D Image | (3E)-3-Methyl-4-[(1S)-2,6,6-trimethyl-2-cyclohexen-1-yl]-3-buten-2-one | C14H22O

(3E)-3-Methyl-4-[(1S)-2,6,6-trimethyl-2-cyclohexen-1-yl]-3-buten-2-one

  • Molecular FormulaC14H22O
  • Average mass206.324 Da
  • Monoisotopic mass206.167068 Da
  • ChemSpider ID32786905

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3E)-3-Methyl-4-[(1S)-2,6,6-trimethyl-2-cyclohexen-1-yl]-3-buten-2-on [German] [ACD/IUPAC Name]
(3E)-3-Methyl-4-[(1S)-2,6,6-trimethyl-2-cyclohexen-1-yl]-3-buten-2-one [ACD/IUPAC Name]
(3E)-3-Méthyl-4-[(1S)-2,6,6-triméthyl-2-cyclohexén-1-yl]-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one, 3-methyl-4-[(1S)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (3E)- [ACD/Index Name]
(E)-3-methyl-4-[(1R)-2,6,6-trimethyl-1-cyclohex-2-enyl]but-3-en-2-one
(E)-4-[(1R,3R)-2,2,3-trimethyl-6-methylenecyclohexyl]but-3-en-2-one
(E)-4-[(1R,3R)-2,2,3-trimethyl-6-methylene-cyclohexyl]but-3-en-2-one
(E)-4-[(1R,3R)-2,2,3-trimethyl-6-methylidenecyclohexyl]but-3-en-2-one
(E)-4-[(1R,3R)-2,2,3-trimethyl-6-methylidene-cyclohexyl]but-3-en-2-one
127-51-5 [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

ZINC01693888 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 285.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 122.1±17.5 °C
Index of Refraction: 1.508
Molar Refractivity: 66.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 947.63
ACD/KOC (pH 5.5): 4701.95
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 947.63
ACD/KOC (pH 7.4): 4701.95
Polar Surface Area: 17 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement