ChemSpider 2D Image | (3aS,7aS)-3a,7a-Dimethylhexahydro-1H-indene-1,4(2H)-dione | C11H16O2

(3aS,7aS)-3a,7a-Dimethylhexahydro-1H-indene-1,4(2H)-dione

  • Molecular FormulaC11H16O2
  • Average mass180.243 Da
  • Monoisotopic mass180.115036 Da
  • ChemSpider ID30811258

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,7aS)-3a,7a-Dimethylhexahydro-1H-inden-1,4(2H)-dion [German] [ACD/IUPAC Name]
(3aS,7aS)-3a,7a-Dimethylhexahydro-1H-indene-1,4(2H)-dione [ACD/IUPAC Name]
(3aS,7aS)-3a,7a-Diméthylhexahydro-1H-indène-1,4(2H)-dione [French] [ACD/IUPAC Name]
1H-Indene-1,4(2H)-dione, hexahydro-3a,7a-dimethyl-, (3aS,7aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 276.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 102.7±19.6 °C
Index of Refraction: 1.513
Molar Refractivity: 49.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 98.56
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 98.56
Polar Surface Area: 34 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 163.2±3.0 cm3

Click to predict properties on the Chemicalize site


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