ChemSpider 2D Image | (2R,3R,6S)-2-Isopropenyl-6-isopropyl-3-methyl-3-vinylcyclohexanone | C15H24O

(2R,3R,6S)-2-Isopropenyl-6-isopropyl-3-methyl-3-vinylcyclohexanone

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID103883113

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3R,6S)-2-Isopropenyl-6-isopropyl-3-methyl-3-vinylcyclohexanon [German] [ACD/IUPAC Name]
(2R,3R,6S)-2-Isopropenyl-6-isopropyl-3-methyl-3-vinylcyclohexanone [ACD/IUPAC Name]
(2R,3R,6S)-2-Isopropényl-6-isopropyl-3-méthyl-3-vinylcyclohexanone [French] [ACD/IUPAC Name]
(2R,3R,6S)-3-Ethenyl-3-methyl-2-(1-methylethenyl)-6-(1-methylethyl)cyclohexanone
39020-72-9 [RN]
Cyclohexanone, 3-ethenyl-3-methyl-2-(1-methylethenyl)-6-(1-methylethyl)-, (2R,3R,6S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 290.2±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 116.2±22.0 °C
Index of Refraction: 1.499
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 918.28
ACD/KOC (pH 5.5): 4597.24
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 918.28
ACD/KOC (pH 7.4): 4597.24
Polar Surface Area: 17 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 32.2±3.0 dyne/cm
Molar Volume: 239.9±3.0 cm3

Click to predict properties on the Chemicalize site


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