ChemSpider 2D Image | 9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol | C25H40O3

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

  • Molecular FormulaC25H40O3
  • Average mass388.583 Da
  • Monoisotopic mass388.297760 Da
  • ChemSpider ID24818295

More details:






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

6H-Dibenzo[b,d]pyran-9-methanol, 3-(1,1-dimethylheptyl)-6a,7,8,9,10,10a-hexahydro-1-hydroxy-6,6-dimethyl- [ACD/Index Name]
9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
9-(Hydroxymethyl)-6,6-dimethyl-3-(2-methyl-2-octanyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
9-(Hydroxyméthyl)-6,6-diméthyl-3-(2-méthyl-2-octanyl)-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
9-(HYDROXYMETHYL)-6,6-DIMETHYL-3-(2-METHYLOCTAN-2-YL)-6AH,7H,8H,9H,10H,10AH-BENZO[C]ISOCHROMEN-1-OL

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

Density: 1.0±0.1 g/cm3
Boiling Point: 472.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 239.4±28.7 °C
Index of Refraction: 1.514
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.74
ACD/LogD (pH 5.5): 7.74
ACD/BCF (pH 5.5): 449624.19
ACD/KOC (pH 5.5): 387147.38
ACD/LogD (pH 7.4): 7.74
ACD/BCF (pH 7.4): 447985.25
ACD/KOC (pH 7.4): 385736.16
Polar Surface Area: 50 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 383.9±3.0 cm3

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