ChemSpider 2D Image | 3-(5,6-Dimethyl-2-heptanyl)-3a,6-dimethyl-2,3,3a,4,5,7,8,9,10,11b-decahydro-1H-cyclopenta[a]anthracen-9-yl cyclohexanecarboxylate | C35H54O2

3-(5,6-Dimethyl-2-heptanyl)-3a,6-dimethyl-2,3,3a,4,5,7,8,9,10,11b-decahydro-1H-cyclopenta[a]anthracen-9-yl cyclohexanecarboxylate

  • Molecular FormulaC35H54O2
  • Average mass506.802 Da
  • Monoisotopic mass506.412384 Da
  • ChemSpider ID549753

More details:

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

3-(5,6-Dimethyl-2-heptanyl)-3a,6-dimethyl-2,3,3a,4,5,7,8,9,10,11b-decahydro-1H-cyclopenta[a]anthracen-9-yl cyclohexanecarboxylate [ACD/IUPAC Name]
3-(5,6-Dimethyl-2-heptanyl)-3a,6-dimethyl-2,3,3a,4,5,7,8,9,10,11b-decahydro-1H-cyclopenta[a]anthracen-9-yl-cyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylate de 3-(5,6-diméthyl-2-heptanyl)-3a,6-diméthyl-2,3,3a,4,5,7,8,9,10,11b-décahydro-1H-cyclopenta[a]anthracén-9-yle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2,3,3a,4,5,7,8,9,10,11b-decahydro-3a,6-dimethyl-3-(1,4,5-trimethylhexyl)-1H-cyclopent[a]anthracen-9-yl ester [ACD/Index Name]
3a,6-Dimethyl-3-(1,4,5-trimethylhexyl)-2,3,3a,4,5,7,8,9,10,11b-decahydro-1H-cyclopenta[a]anthracen-9-yl cyclohexanecarboxylate
Anthraergostatrienol hexahydrobenzoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 588.5±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 308.4±14.6 °C
Index of Refraction: 1.540
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 12.86
ACD/LogD (pH 5.5): 11.43
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.43
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 492.2±5.0 cm3

Click to predict properties on the Chemicalize site


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