ChemSpider 2D Image | (5S,6S,8R,10R)-5-(4-Chlorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.0~1,6~]undecan-10-ol | C18H23ClO2

(5S,6S,8R,10R)-5-(4-Chlorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-ol

  • Molecular FormulaC18H23ClO2
  • Average mass306.827 Da
  • Monoisotopic mass306.138672 Da
  • ChemSpider ID60562806

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5S,6S,8R,10R)-5-(4-Chlorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-ol [ACD/IUPAC Name]
(5S,6S,8R,10R)-5-(4-Chlorophényl)-9,9-diméthyl-4-oxatricyclo[6.2.1.01,6]undécan-10-ol [French] [ACD/IUPAC Name]
(5S,6S,8R,10R)-5-(4-Chlorphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-ol [German] [ACD/IUPAC Name]
4a,7-Methano-4aH-2-benzopyran-5-ol, 1-(4-chlorophenyl)octahydro-6,6-dimethyl-, (1S,5R,7R,8aS)- [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: 431.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 214.5±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 84.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1339.78
ACD/KOC (pH 5.5): 6024.63
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1339.78
ACD/KOC (pH 7.4): 6024.63
Polar Surface Area: 29 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 248.3±5.0 cm3

Click to predict properties on the Chemicalize site


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