ChemSpider 2D Image | (1S,4aR,5S)-5-(5-Acetoxy-3-methylpentyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid | C22H36O4

(1S,4aR,5S)-5-(5-Acetoxy-3-methylpentyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC22H36O4
  • Average mass364.519 Da
  • Monoisotopic mass364.261353 Da
  • ChemSpider ID22913810

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1S,4aR,5S)-5-(5-Acetoxy-3-methylpentyl)-1,4a-dimethyl-6-methylendecahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
(1S,4aR,5S)-5-(5-Acetoxy-3-methylpentyl)-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[5-(acetyloxy)-3-methylpentyl]decahydro-1,4a-dimethyl-6-methylene-, (1S,4aR,5S)- [ACD/Index Name]
Acide (1S,4aR,5S)-5-(5-acétoxy-3-méthylpentyl)-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: 1.0±0.1 g/cm3
Boiling Point: 458.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.8±6.0 kJ/mol
Flash Point: 147.3±20.3 °C
Index of Refraction: 1.504
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.37
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 1634.16
ACD/KOC (pH 5.5): 3905.82
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 25.82
ACD/KOC (pH 7.4): 61.72
Polar Surface Area: 64 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 347.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement