ChemSpider 2D Image | (5S)-2-Isopropenyl-5-methylcyclohexanone | C10H16O

(5S)-2-Isopropenyl-5-methylcyclohexanone

  • Molecular FormulaC10H16O
  • Average mass152.233 Da
  • Monoisotopic mass152.120117 Da
  • ChemSpider ID31043644

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5S)-2-Isopropenyl-5-methylcyclohexanon [German] [ACD/IUPAC Name]
(5S)-2-Isopropenyl-5-methylcyclohexanone [ACD/IUPAC Name]
(5S)-2-Isopropényl-5-méthylcyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 5-methyl-2-(1-methylethenyl)-, (5S)- [ACD/Index Name]
(5S)-5-METHYL-2-(PROP-1-EN-2-YL)CYCLOHEXAN-1-ONE
1933728-06-3 [RN]
29606-79-9 [RN]
529-00-0 [RN]
cis-Isopulegone
trans-5-methyl-2-(1-methylvinyl)cyclohexan-1-one

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

Density: 0.9±0.1 g/cm3
Boiling Point: 216.4±29.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.3±3.0 kJ/mol
Flash Point: 79.5±19.2 °C
Index of Refraction: 1.457
Molar Refractivity: 45.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.22
ACD/KOC (pH 5.5): 507.19
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.22
ACD/KOC (pH 7.4): 507.19
Polar Surface Area: 17 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 28.0±3.0 dyne/cm
Molar Volume: 168.5±3.0 cm3

Click to predict properties on the Chemicalize site


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