ChemSpider 2D Image | (3aR,4S,6E,9Z,11aS)-4-(Methacryloyloxy)-6,10-dimethyl-3-methylene-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodeca[b]furan-11-yl laurate | C31H44O7

(3aR,4S,6E,9Z,11aS)-4-(Methacryloyloxy)-6,10-dimethyl-3-methylene-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodeca[b]furan-11-yl laurate

  • Molecular FormulaC31H44O7
  • Average mass528.677 Da
  • Monoisotopic mass528.308716 Da
  • ChemSpider ID8294712

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aR,4S,6E,9Z,11aS)-4-(Methacryloyloxy)-6,10-dimethyl-3-methylen-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodeca[b]furan-11-yllaurat [German] [ACD/IUPAC Name]
(3aR,4S,6E,9Z,11aS)-4-(Methacryloyloxy)-6,10-dimethyl-3-methylene-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodeca[b]furan-11-yl laurate [ACD/IUPAC Name]
Dodecanoic acid, (3aR,4S,6E,9Z,11aS)-2,3,3a,4,5,8,11,11a-octahydro-6,10-dimethyl-3-methylene-4-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-2,8-dioxocyclodeca[b]furan-11-yl ester [ACD/Index Name]
Laurate de (3aR,4S,6E,9Z,11aS)-4-(méthacryloyloxy)-6,10-diméthyl-3-méthylène-2,8-dioxo-2,3,3a,4,5,8,11,11a-octahydrocyclodéca[b]furan-11-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 267.2±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 8.62
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1160246.88
ACD/LogD (pH 7.4): 8.62
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1160246.88
Polar Surface Area: 96 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 482.1±5.0 cm3

Click to predict properties on the Chemicalize site


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