ChemSpider 2D Image | 6-Hydroxy-7,7-dimethyl-17-methylene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadec-9-yl laurate | C32H48O7

6-Hydroxy-7,7-dimethyl-17-methylene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-9-yl laurate

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID383066

More details:

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

6-Hydroxy-7,7-dimethyl-17-methylen-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-9-yllaurat [German] [ACD/IUPAC Name]
6-Hydroxy-7,7-dimethyl-17-methylene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-9-yl laurate [ACD/IUPAC Name]
Dodecanoic acid, dodecahydro-2-hydroxy-1,1-dimethyl-7-methylene-5,6-dioxo-5H-5a,8-methano-11H-cyclohepta[c]furo[3,4-e][1]benzopyran-13-yl ester [ACD/Index Name]
Laurate de 6-hydroxy-7,7-diméthyl-17-méthylène-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadéc-9-yle [French] [ACD/IUPAC Name]

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

NSC324039 [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: 684.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±6.0 kJ/mol
Flash Point: 214.4±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 146.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22182.78
ACD/KOC (pH 5.5): 44922.55
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22182.78
ACD/KOC (pH 7.4): 44922.55
Polar Surface Area: 99 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 463.2±5.0 cm3

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