ChemSpider 2D Image | (3a,8,10a-Trihydroxy-2,10-dimethyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-5-yl)methyl myristate | C31H50O6

(3a,8,10a-Trihydroxy-2,10-dimethyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-5-yl)methyl myristate

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID470625

More details:






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

(3a,8,10a-Trihydroxy-2,10-dimethyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-5-yl)methyl myristate [ACD/IUPAC Name]
(3a,8,10a-Trihydroxy-2,10-dimethyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-decahydrobenzo[e]azulen-5-yl)methylmyristat [German] [ACD/IUPAC Name]
Myristate de (3a,8,10a-trihydroxy-2,10-diméthyl-3-oxo-3,3a,4,6a,7,8,9,10,10a,10b-décahydrobenzo[e]azulén-5-yl)méthyle [French] [ACD/IUPAC Name]
Tetradecanoic acid, (3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,8,10a-trihydroxy-2,10-dimethyl-3-oxobenz[e]azulen-5-yl)methyl ester [ACD/Index Name]
Tetradecanoic acid, (3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,8,10a-trihydroxy-2,10-dimethyl-3-oxobenz[e]azulen-5-yl)methyl ester, [3aR-(3aα,6aα,8α,10β,10aβ,10bβ)]-
Tetradecanoic acid, (3,3a,4,6a,7,8,9,10,10a,10b-decahydro-3a,8,10a-trihydroxy-2,10-dimethyl-3-oxobenz[e]azulen-5-yl)methyl ester, [3aR-(3aα,6aα,8β,10β,10aβ,10bβ)]-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 653.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 110.2±6.0 kJ/mol
Flash Point: 202.5±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 170929.56
ACD/KOC (pH 5.5): 193743.50
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 170911.73
ACD/KOC (pH 7.4): 193723.30
Polar Surface Area: 104 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 465.6±3.0 cm3

Click to predict properties on the Chemicalize site






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