ChemSpider 2D Image | (1R,2R,7S,8aR)-7-Isopropenyl-1,8a-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-2-naphthalenyl (2E)-2-methyl-2-butenoate | C20H28O3

(1R,2R,7S,8aR)-7-Isopropenyl-1,8a-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-2-naphthalenyl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID57578217

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,7S,8aR)-7-Isopropenyl-1,8a-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-2-naphthalenyl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(1R,2R,7S,8aR)-7-Isopropenyl-1,8a-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-2-naphthalinyl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (1R,2R,7S,8aR)-7-isopropényl-1,8a-diméthyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-2-naphtalényle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (1R,2R,7S,8aR)-1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-6-oxo-2-naphthalenyl ester, (2E)- [ACD/Index Name]
(1R,2R,7S,8aR)-1,8a-dimethyl-7-(1-methylethenyl)-6-oxo-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl (2Z)-2-methylbut-2-enoate
26577-85-5 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 421.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 181.6±28.8 °C
Index of Refraction: 1.514
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2784.02
ACD/KOC (pH 5.5): 10169.31
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2784.02
ACD/KOC (pH 7.4): 10169.31
Polar Surface Area: 43 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 36.4±5.0 dyne/cm
Molar Volume: 303.7±5.0 cm3

Click to predict properties on the Chemicalize site


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