ChemSpider 2D Image | 12,14-Diacetoxy-5,8,11-trimethyl-15-methylene-10,18-dioxatetracyclo[9.7.0.0~2,7~.0~3,17~]octadec-4-yl butyrate | C28H42O8

12,14-Diacetoxy-5,8,11-trimethyl-15-methylene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-4-yl butyrate

  • Molecular FormulaC28H42O8
  • Average mass506.628 Da
  • Monoisotopic mass506.287964 Da
  • ChemSpider ID162486

More details:

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

12,14-Diacetoxy-5,8,11-trimethyl-15-methylen-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-4-ylbutyrat [German] [ACD/IUPAC Name]
12,14-Diacetoxy-5,8,11-trimethyl-15-methylene-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-4-yl butyrate [ACD/IUPAC Name]
Butanoic acid, 10,12-bis(acetyloxy)decahydro-4,6,9-trimethyl-13-methylene-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-yl ester [ACD/Index Name]
Butyrate de 12,14-diacétoxy-5,8,11-triméthyl-15-méthylène-10,18-dioxatétracyclo[9.7.0.02,7.03,17]octadéc-4-yle [French] [ACD/IUPAC Name]
75961-67-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 233.1±30.2 °C
Index of Refraction: 1.520
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4691.47
ACD/KOC (pH 5.5): 14774.61
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4691.47
ACD/KOC (pH 7.4): 14774.61
Polar Surface Area: 97 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 434.0±5.0 cm3

Click to predict properties on the Chemicalize site


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