ChemSpider 2D Image | (3S,4S)-3-Isopropenyl-4-methyl-4-vinylcyclohexanone | C12H18O

(3S,4S)-3-Isopropenyl-4-methyl-4-vinylcyclohexanone

  • Molecular FormulaC12H18O
  • Average mass178.271 Da
  • Monoisotopic mass178.135757 Da
  • ChemSpider ID61394191

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-3-Isopropenyl-4-methyl-4-vinylcyclohexanon [German] [ACD/IUPAC Name]
(3S,4S)-3-Isopropenyl-4-methyl-4-vinylcyclohexanone [ACD/IUPAC Name]
(3S,4S)-3-Isopropényl-4-méthyl-4-vinylcyclohexanone [French] [ACD/IUPAC Name]
41411-01-2 [RN]
Cyclohexanone, 4-ethenyl-4-methyl-3-(1-methylethenyl)-, (3S,4S)- [ACD/Index Name]
Cyclohexanone, 4-ethenyl-4-methyl-3-(1-methylethenyl)-, (3S-trans)-
62075-35-8 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 247.3±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 95.6±22.0 °C
Index of Refraction: 1.514
Molar Refractivity: 56.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.45
ACD/KOC (pH 5.5): 902.55
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.45
ACD/KOC (pH 7.4): 902.55
Polar Surface Area: 17 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 187.8±3.0 cm3

Click to predict properties on the Chemicalize site


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