ChemSpider 2D Image | 4-Acetoxy-5,8,11-trimethyl-15-methylene-14-oxo-10,18-dioxatetracyclo[,7~.0~3,17~]octadec-12-yl octanoate | C30H46O7

4-Acetoxy-5,8,11-trimethyl-15-methylene-14-oxo-10,18-dioxatetracyclo[,7.03,17]octadec-12-yl octanoate

  • Molecular FormulaC30H46O7
  • Average mass518.682 Da
  • Monoisotopic mass518.324341 Da
  • ChemSpider ID434400

More details:

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

4-Acetoxy-5,8,11-trimethyl-15-methylen-14-oxo-10,18-dioxatetracyclo[,7.03,17]octadec-12-yl-octanoat [German] [ACD/IUPAC Name]
4-Acetoxy-5,8,11-trimethyl-15-methylene-14-oxo-10,18-dioxatetracyclo[,7.03,17]octadec-12-yl octanoate [ACD/IUPAC Name]
Octanoate de 4-acétoxy-5,8,11-triméthyl-15-méthylène-14-oxo-10,18-dioxatétracyclo[,7.03,17]octadéc-12-yle [French] [ACD/IUPAC Name]
Octanoic acid, 3-(acetyloxy)decahydro-4,6,9-trimethyl-13-methylene-12-oxo-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-10-yl ester [ACD/Index Name]

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

AIDS148565 [DBID]
AIDS-148565 [DBID]
NSC681149 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 594.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 247.6±30.2 °C
Index of Refraction: 1.519
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 119299.39
ACD/KOC (pH 5.5): 149773.86
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 119299.39
ACD/KOC (pH 7.4): 149773.86
Polar Surface Area: 88 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 459.6±5.0 cm3

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