ChemSpider 2D Image | (7aR)-3a-Methyloctahydro-2H-inden-2-one | C10H16O

(7aR)-3a-Methyloctahydro-2H-inden-2-one

  • Molecular FormulaC10H16O
  • Average mass152.233 Da
  • Monoisotopic mass152.120117 Da
  • ChemSpider ID61629613

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(7aR)-3a-Methyloctahydro-2H-inden-2-on [German] [ACD/IUPAC Name]
(7aR)-3a-Methyloctahydro-2H-inden-2-one [ACD/IUPAC Name]
(7aR)-3a-Méthyloctahydro-2H-indén-2-one [French] [ACD/IUPAC Name]
2H-Inden-2-one, octahydro-3a-methyl-, (7aR)- [ACD/Index Name]
1933780-36-9 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 223.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 81.9±10.7 °C
Index of Refraction: 1.495
Molar Refractivity: 44.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.70
ACD/KOC (pH 5.5): 657.71
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.70
ACD/KOC (pH 7.4): 657.71
Polar Surface Area: 17 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 151.9±3.0 cm3

Click to predict properties on the Chemicalize site


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