ChemSpider 2D Image | (6aS,10aS)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C25H38O3

(6aS,10aS)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID21106322
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(6aS,10aS)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aS,10aS)-9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aS,10aS)-9-(Hydroxyméthyl)-6,6-diméthyl-3-(2-méthyl-2-octanyl)-6a,7,8,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,10a-tetrahydro-1-hydroxy-6,6-dimethyl-, (6aS,10aS)- [ACD/Index Name]
112830-95-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 476.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 242.0±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 7.96
ACD/BCF (pH 5.5): 660573.31
ACD/KOC (pH 5.5): 509873.34
ACD/LogD (pH 7.4): 7.96
ACD/BCF (pH 7.4): 657393.38
ACD/KOC (pH 7.4): 507418.88
Polar Surface Area: 50 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 375.2±3.0 cm3

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