ChemSpider 2D Image | (1S,4aR,5R,8aS)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid | C20H28O3

(1S,4aR,5R,8aS)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID58842819

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4aR,5R,8aS)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyl-6-methylendecahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
(1S,4aR,5R,8aS)-5-[2-(3-Furyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, (1S,4aR,5R,8aS)- [ACD/Index Name]
Acide (1S,4aR,5R,8aS)-5-[2-(3-furyl)éthyl]-1,4a-diméthyl-6-méthylènedécahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]
4966-13-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 428.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 213.0±26.8 °C
Index of Refraction: 1.540
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 986.34
ACD/KOC (pH 5.5): 2714.49
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 15.58
ACD/KOC (pH 7.4): 42.87
Polar Surface Area: 50 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 288.2±5.0 cm3

Click to predict properties on the Chemicalize site


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