ChemSpider 2D Image | (6aR,10aR)-3-(6,6-Dimethylheptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene | C25H38O

(6aR,10aR)-3-(6,6-Dimethylheptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene

  • Molecular FormulaC25H38O
  • Average mass354.569 Da
  • Monoisotopic mass354.292267 Da
  • ChemSpider ID28942600

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-3-(6,6-Dimethylheptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen [German] [ACD/IUPAC Name]
(6aR,10aR)-3-(6,6-Dimethylheptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene [ACD/IUPAC Name]
(6aR,10aR)-3-(6,6-Diméthylheptyl)-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromène [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran, 3-(6,6-dimethylheptyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6aR,10aR)- [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: 428.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 212.1±24.4 °C
Index of Refraction: 1.506
Molar Refractivity: 112.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.91
ACD/LogD (pH 5.5): 8.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 954461.19
ACD/LogD (pH 7.4): 8.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 954461.19
Polar Surface Area: 9 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 377.4±3.0 cm3

Click to predict properties on the Chemicalize site


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