ChemSpider 2D Image | 2-[(2R,4aR,8S)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid | C15H24O3

2-[(2R,4aR,8S)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID22918946
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

2-[(2R,4aR,8S)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid [ACD/IUPAC Name]
2-[(2R,4aR,8S)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalinyl]acrylsäure [German] [ACD/IUPAC Name]
2-[(2R,4aR,8S)-8-Hydroxy-4a,8-dimethyldecahydronaphthalen-2-yl]acrylic acid
2-Naphthaleneacetic acid, decahydro-8-hydroxy-4a,8-dimethyl-α-methylene-, (2R,4aR,8S)- [ACD/Index Name]
Acide 2-[(2R,4aR,8S)-8-hydroxy-4a,8-diméthyldécahydro-2-naphtalényl]acrylique [French] [ACD/IUPAC Name]
2-[(2R,4AR,8S)-8-HYDROXY-4A,8-DIMETHYL-1,2,3,4,5,6,7,8A-OCTAHYDRONAPHTHALEN-2-YL]PROP-2-ENOIC ACID
2-[(2R,4aR,8S)-8-hydroxy-4a,8-dimethyldecahydronaphthalen-2-yl]prop-2-enoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 399.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.1±6.0 kJ/mol
Flash Point: 209.5±19.7 °C
Index of Refraction: 1.523
Molar Refractivity: 69.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 9.99
ACD/KOC (pH 5.5): 87.35
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 58 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 228.7±3.0 cm3

Click to predict properties on the Chemicalize site






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