ChemSpider 2D Image | 2-[(4aR,8aR)-8a-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid | C15H22O3

2-[(4aR,8aR)-8a-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID95532272

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-[(4aR,8aR)-8a-Hydroxy-4a-methyl-8-methylendecahydro-2-naphthalinyl]acrylsäure [German] [ACD/IUPAC Name]
2-[(4aR,8aR)-8a-Hydroxy-4a-methyl-8-methylenedecahydro-2-naphthalenyl]acrylic acid [ACD/IUPAC Name]
2-Naphthaleneacetic acid, decahydro-8a-hydroxy-4a-methyl-α,8-bis(methylene)-, (4aR,8aR)- [ACD/Index Name]
Acide 2-[(4aR,8aR)-8a-hydroxy-4a-méthyl-8-méthylènedécahydro-2-naphtalényl]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: 406.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 76.1±6.0 kJ/mol
Flash Point: 213.8±23.3 °C
Index of Refraction: 1.540
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 9.25
ACD/KOC (pH 5.5): 81.46
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 58 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 222.2±5.0 cm3

Click to predict properties on the Chemicalize site


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