ChemSpider 2D Image | (4aR,6aS,10aR,10bS)-7,7,10a-Trimethyldodecahydro-2H-benzo[f]isochromene | C16H28O

(4aR,6aS,10aR,10bS)-7,7,10a-Trimethyldodecahydro-2H-benzo[f]isochromene

  • Molecular FormulaC16H28O
  • Average mass236.393 Da
  • Monoisotopic mass236.214020 Da
  • ChemSpider ID30657178

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,6aS,10aR,10bS)-7,7,10a-Trimethyldodecahydro-2H-benzo[f]isochromen [German] [ACD/IUPAC Name]
(4aR,6aS,10aR,10bS)-7,7,10a-Trimethyldodecahydro-2H-benzo[f]isochromene [ACD/IUPAC Name]
(4aR,6aS,10aR,10bS)-7,7,10a-Triméthyldodécahydro-2H-benzo[f]isochromène [French] [ACD/IUPAC Name]
2H-Naphtho[2,1-c]pyran, dodecahydro-7,7,10a-trimethyl-, (4aR,6aS,10aR,10bS)- [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: 283.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.1±3.0 kJ/mol
Flash Point: 108.1±15.3 °C
Index of Refraction: 1.474
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6924.13
ACD/KOC (pH 5.5): 19522.01
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6924.13
ACD/KOC (pH 7.4): 19522.01
Polar Surface Area: 9 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 254.6±3.0 cm3

Click to predict properties on the Chemicalize site


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