ChemSpider 2D Image | (3aR,5S,6R)-6,8a-Dihydroxy-1-isopropyl-3a,6-dimethyldecahydro-5-azulenyl (2E)-2-methyl-2-butenoate | C20H34O4

(3aR,5S,6R)-6,8a-Dihydroxy-1-isopropyl-3a,6-dimethyldecahydro-5-azulenyl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID26373153

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (3aR,5S,6R)-6,8a-dihydroxy-1-isopropyl-3a,6-diméthyldécahydro-5-azulényle [French] [ACD/IUPAC Name]
(3aR,5S,6R)-6,8a-Dihydroxy-1-isopropyl-3a,6-dimethyldecahydro-5-azulenyl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3aR,5S,6R)-6,8a-Dihydroxy-1-isopropyl-3a,6-dimethyldecahydro-5-azulenyl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3aR,5S,6R)-decahydro-6,8a-dihydroxy-3a,6-dimethyl-1-(1-methylethyl)-5-azulenyl ester, (2E)- [ACD/Index 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: 431.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.4±6.0 kJ/mol
Flash Point: 140.8±20.8 °C
Index of Refraction: 1.518
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 665.80
ACD/KOC (pH 5.5): 3652.16
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 665.80
ACD/KOC (pH 7.4): 3652.16
Polar Surface Area: 67 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 314.0±5.0 cm3

Click to predict properties on the Chemicalize site


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