ChemSpider 2D Image | (6aR,10aR)-6,6,9-Trimethyl-3-[(2S,3R)-3-methyl-2-octanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C25H38O2

(6aR,10aR)-6,6,9-Trimethyl-3-[(2S,3R)-3-methyl-2-octanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC25H38O2
  • Average mass370.568 Da
  • Monoisotopic mass370.287170 Da
  • ChemSpider ID23162734

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6aR,10aR)-6,6,9-Trimethyl-3-[(2S,3R)-3-methyl-2-octanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-[(2S,3R)-3-methyl-2-octanyl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Triméthyl-3-[(2S,3R)-3-méthyl-2-octanyl]-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-trimethyl-3-[(2S,3R)-3-methyloctan-2-yl]-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
6H-Dibenzo[b,d]pyran-1-ol, 3-[(1S,2R)-1,2-dimethylheptyl]-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-, (6aR,10aR)- [ACD/Index Name]
(6aR,10aR)-3-((1S,2R)-1,2-Dimethyl-heptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CHEMBL71401

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 430.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 160.5±23.0 °C
Index of Refraction: 1.517
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.29
ACD/LogD (pH 5.5): 8.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1313719.38
ACD/LogD (pH 7.4): 8.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1307495.75
Polar Surface Area: 29 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 376.9±3.0 cm3

Click to predict properties on the Chemicalize site


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