ChemSpider 2D Image | (6aR,10aR)-3-(Adamantan-1-yl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one | C25H32O3

(6aR,10aR)-3-(Adamantan-1-yl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one

  • Molecular FormulaC25H32O3
  • Average mass380.520 Da
  • Monoisotopic mass380.235138 Da
  • ChemSpider ID29405124

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

(6aR,10aR)-3-(Adamantan-1-yl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-on [German] [ACD/IUPAC Name]
(6aR,10aR)-3-(Adamantan-1-yl)-1-hydroxy-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromen-9-one [ACD/IUPAC Name]
(6aR,10aR)-3-(Adamantan-1-yl)-1-hydroxy-6,6-diméthyl-6,6a,7,8,10,10a-hexahydro-9H-benzo[c]chromén-9-one [French] [ACD/IUPAC Name]
9H-Dibenzo[b,d]pyran-9-one, 6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-3-tricyclo[3.3.1.13,7]dec-1-yl-, (6aR,10aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 500.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 167.5±23.6 °C
Index of Refraction: 1.588
Molar Refractivity: 108.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15826.25
ACD/KOC (pH 5.5): 35277.15
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15740.50
ACD/KOC (pH 7.4): 35086.02
Polar Surface Area: 47 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 321.6±3.0 cm3

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