ChemSpider 2D Image | 2-[(2R,4aS,8S,8aS)-4a,8-Dimethyl-7-oxodecahydro-2-naphthalenyl]propanoic acid | C15H24O3

2-[(2R,4aS,8S,8aS)-4a,8-Dimethyl-7-oxodecahydro-2-naphthalenyl]propanoic acid

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID24724939

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(2R,4aS,8S,8aS)-4a,8-Dimethyl-7-oxodecahydro-2-naphthalenyl]propanoic acid [ACD/IUPAC Name]
2-[(2R,4aS,8S,8aS)-4a,8-Dimethyl-7-oxodecahydro-2-naphthalinyl]propansäure [German] [ACD/IUPAC Name]
2-Naphthaleneacetic acid, decahydro-α,4a,8-trimethyl-7-oxo-, (2R,4aS,8S,8aS)- [ACD/Index Name]
Acide 2-[(2R,4aS,8S,8aS)-4a,8-diméthyl-7-oxodécahydro-2-naphtalényl]propanoïque [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: 391.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.4±6.0 kJ/mol
Flash Point: 205.0±16.9 °C
Index of Refraction: 1.496
Molar Refractivity: 69.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 6.47
ACD/KOC (pH 5.5): 74.21
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 54 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 236.4±3.0 cm3

Click to predict properties on the Chemicalize site


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