ChemSpider 2D Image | (1R,3aS,4R,6aS)-Octahydropentalene-1,4-diyl bis({[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}acetate) | C32H54O6

(1R,3aS,4R,6aS)-Octahydropentalene-1,4-diyl bis({[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}acetate)

  • Molecular FormulaC32H54O6
  • Average mass534.768 Da
  • Monoisotopic mass534.392029 Da
  • ChemSpider ID9289342

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,3aS,4R,6aS)-Octahydropentalen-1,4-diyl-bis({[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}acetat) [German] [ACD/IUPAC Name]
(1R,3aS,4R,6aS)-Octahydropentalene-1,4-diyl bis({[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}acetate) [ACD/IUPAC Name]
Acetic acid, 2-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, (1R,3aS,4R,6aS)-octahydro-1,4-pentalenediyl ester [ACD/Index Name]
Bis({[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyl]oxy}acétate) de (1R,3aS,4R,6aS)-octahydropentalène-1,4-diyle [French] [ACD/IUPAC 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: 595.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 245.5±26.0 °C
Index of Refraction: 1.506
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.19
ACD/LogD (pH 5.5): 8.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1481416.50
ACD/LogD (pH 7.4): 8.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1481416.50
Polar Surface Area: 71 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 40.1±5.0 dyne/cm
Molar Volume: 501.3±5.0 cm3

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