ChemSpider 2D Image | Methyl (1S,3aR,4S,6aS,6bR,9aR,10aS)-4,7,7,9a-tetramethyl-5-oxotetradecahydrodicyclopenta[a,d]indene-1-carboxylate | C21H32O3

Methyl (1S,3aR,4S,6aS,6bR,9aR,10aS)-4,7,7,9a-tetramethyl-5-oxotetradecahydrodicyclopenta[a,d]indene-1-carboxylate

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID30658893

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3aR,4S,6aS,6bR,9aR,10aS)-4,7,7,9a-Tétraméthyl-5-oxotétradécahydrodicyclopenta[a,d]indène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Dicyclopent[a,d]indene-1-carboxylic acid, tetradecahydro-4,7,7,9a-tetramethyl-5-oxo-, methyl ester, (1S,3aR,4S,6aS,6bR,9aR,10aS)- [ACD/Index Name]
Methyl (1S,3aR,4S,6aS,6bR,9aR,10aS)-4,7,7,9a-tetramethyl-5-oxotetradecahydrodicyclopenta[a,d]indene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1S,3aR,4S,6aS,6bR,9aR,10aS)-4,7,7,9a-tetramethyl-5-oxotetradecahydrodicyclopenta[a,d]inden-1-carboxylat [German] [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: 416.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 178.7±26.8 °C
Index of Refraction: 1.526
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1936.82
ACD/KOC (pH 5.5): 7843.23
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1936.82
ACD/KOC (pH 7.4): 7843.23
Polar Surface Area: 43 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 302.9±5.0 cm3

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