ChemSpider 2D Image | (2E)-3-(3-{2-[(1S,5S,8aR)-5-(Methoxycarbonyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2-furyl)acrylic acid | C24H32O5

(2E)-3-(3-{2-[(1S,5S,8aR)-5-(Methoxycarbonyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2-furyl)acrylic acid

  • Molecular FormulaC24H32O5
  • Average mass400.508 Da
  • Monoisotopic mass400.224976 Da
  • ChemSpider ID62232481

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2E)-3-(3-{2-[(1S,5S,8aR)-5-(Methoxycarbonyl)-5,8a-dimethyl-2-methylendecahydro-1-naphthalinyl]ethyl}-2-furyl)acrylsäure [German] [ACD/IUPAC Name]
(2E)-3-(3-{2-[(1S,5S,8aR)-5-(Methoxycarbonyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]ethyl}-2-furyl)acrylic acid [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[2-[2-[(E)-2-carboxyethenyl]-3-furanyl]ethyl]decahydro-1,4a-dimethyl-6-methylene-, 1-methyl ester, (1S,4aR,5S)- [ACD/Index Name]
Acide (2E)-3-(3-{2-[(1S,5S,8aR)-5-(méthoxycarbonyl)-5,8a-diméthyl-2-méthylènedécahydro-1-naphtalényl]éthyl}-2-furyl)acrylique [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: 498.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 255.1±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 1876.96
ACD/KOC (pH 5.5): 3764.88
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 29.73
ACD/KOC (pH 7.4): 59.63
Polar Surface Area: 77 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 348.7±5.0 cm3

Click to predict properties on the Chemicalize site


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