ChemSpider 2D Image | (1S,4aR,5R,8aS)-5-[2-(5-Methoxy-2-oxo-2,5-dihydro-3-furanyl)ethyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid | C21H30O5

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

  • Molecular FormulaC21H30O5
  • Average mass362.460 Da
  • Monoisotopic mass362.209320 Da
  • ChemSpider ID114815543

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.3±6.0 kJ/mol
Flash Point: 182.8±23.6 °C
Index of Refraction: 1.538
Molar Refractivity: 97.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 35.07
ACD/KOC (pH 5.5): 247.92
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.91
Polar Surface Area: 73 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 311.7±5.0 cm3

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