ChemSpider 2D Image | Dimethyl 2,7-diacetoxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,8,10a,11,11a,11b,12-tetradecahydro-1H-indeno[2,1-a]phenanthrene-9,10-dicarboxylate | C31H40O8

Dimethyl 2,7-diacetoxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,8,10a,11,11a,11b,12-tetradecahydro-1H-indeno[2,1-a]phenanthrene-9,10-dicarboxylate

  • Molecular FormulaC31H40O8
  • Average mass540.644 Da
  • Monoisotopic mass540.272339 Da
  • ChemSpider ID216880

More details:

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

1H-Indeno[2,1-a]phenanthrene-9,10-dicarboxylic acid, 2,7-bis(acetyloxy)-2,3,4,4a,4b,5,6,6a,8,10a,11,11a,11b,12-tetradecahydro-4a,6a-dimethyl-, dimethyl ester [ACD/Index Name]
2,7-Diacétoxy-4a,6a-diméthyl-2,3,4,4a,4b,5,6,6a,8,10a,11,11a,11b,12-tétradécahydro-1H-indéno[2,1-a]phénanthrène-9,10-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2,7-diacetoxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,8,10a,11,11a,11b,12-tetradecahydro-1H-indeno[2,1-a]phenanthrene-9,10-dicarboxylate [ACD/IUPAC Name]
Dimethyl-2,7-diacetoxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,8,10a,11,11a,11b,12-tetradecahydro-1H-indeno[2,1-a]phenanthren-9,10-dicarboxylat [German] [ACD/IUPAC Name]

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

NSC63011 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 624.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 261.1±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 141.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 40480.33
ACD/KOC (pH 5.5): 69095.29
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 40480.33
ACD/KOC (pH 7.4): 69095.29
Polar Surface Area: 105 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 435.7±5.0 cm3

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