ChemSpider 2D Image | 8a-Methyldecahydronaphthalene-1,8-diyl bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate) | C31H44O8

8a-Methyldecahydronaphthalene-1,8-diyl bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate)

  • Molecular FormulaC31H44O8
  • Average mass544.676 Da
  • Monoisotopic mass544.303589 Da
  • ChemSpider ID513635

More details:

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

2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, decahydro-8a-methyl-1,8-naphthalenediyl ester [ACD/Index Name]
8a-Methyldecahydronaphthalene-1,8-diyl bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate) [ACD/IUPAC Name]
8a-Methyldecahydronaphthalin-1,8-diyl-bis(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-carboxylat) [German] [ACD/IUPAC Name]
Bis(4,7,7-triméthyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate) de 8a-méthyldécahydronaphtalène-1,8-diyle [French] [ACD/IUPAC Name]
8a-Methyl-8-([(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl]oxy)decahydro-1-naphthalenyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Decalin, 8a-methyl-1,8-bis[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carboxy]-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 262.6±30.2 °C
Index of Refraction: 1.555
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 313.80
ACD/KOC (pH 5.5): 2131.63
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.80
ACD/KOC (pH 7.4): 2131.63
Polar Surface Area: 105 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 438.5±5.0 cm3

Click to predict properties on the Chemicalize site


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