ChemSpider 2D Image | (6aR,10aS)-6,6,9-Trimethyl-3-(2-phenyl-2-propanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C25H30O2

(6aR,10aS)-6,6,9-Trimethyl-3-(2-phenyl-2-propanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC25H30O2
  • Average mass362.504 Da
  • Monoisotopic mass362.224579 Da
  • ChemSpider ID57643017

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aS)-6,6,9-Trimethyl-3-(2-phenyl-2-propanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aS)-6,6,9-Trimethyl-3-(2-phenyl-2-propanyl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aS)-6,6,9-Triméthyl-3-(2-phényl-2-propanyl)-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,10,10a-tetrahydro-6,6,9-trimethyl-3-(1-methyl-1-phenylethyl)-, (6aR,10aS)- [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: 436.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 171.9±23.0 °C
Index of Refraction: 1.560
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 214594.59
ACD/KOC (pH 5.5): 228002.81
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 213502.72
ACD/KOC (pH 7.4): 226842.70
Polar Surface Area: 29 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 340.7±3.0 cm3

Click to predict properties on the Chemicalize site


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