ChemSpider 2D Image | (2S)-2-[(1S,4S,4aR,8aR)-4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl]propanoic acid | C15H24O2

(2S)-2-[(1S,4S,4aR,8aR)-4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl]propanoic acid

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID82965807

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-[(1S,4S,4aR,8aR)-4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl]propanoic acid [ACD/IUPAC Name]
(2S)-2-[(1S,4S,4aR,8aR)-4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalinyl]propansäure [German] [ACD/IUPAC Name]
1-Naphthaleneacetic acid, 1,2,3,4,4a,5,6,8a-octahydro-α,4,7-trimethyl-, (αS,1S,4S,4aR,8aR)- [ACD/Index Name]
Acide (2S)-2-[(1S,4S,4aR,8aR)-4,7-diméthyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphtalényl]propanoïque [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: 358.8±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 66.4±6.0 kJ/mol
Flash Point: 255.7±14.4 °C
Index of Refraction: 1.492
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 335.30
ACD/KOC (pH 5.5): 1235.59
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 5.28
ACD/KOC (pH 7.4): 19.47
Polar Surface Area: 37 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 236.4±3.0 cm3

Click to predict properties on the Chemicalize site


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