ChemSpider 2D Image | (2R)-2-[(3aS,4R,7R,7aS)-1a,4-Dimethyldecahydronaphtho[1,2-b]oxiren-7-yl]propanoic acid | C15H24O3

(2R)-2-[(3aS,4R,7R,7aS)-1a,4-Dimethyldecahydronaphtho[1,2-b]oxiren-7-yl]propanoic acid

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID75583552

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(2R)-2-[(3aS,4R,7R,7aS)-1a,4-Dimethyldecahydronaphtho[1,2-b]oxiren-7-yl]propanoic acid [ACD/IUPAC Name]
(2R)-2-[(3aS,4R,7R,7aS)-1a,4-Dimethyldecahydronaphtho[1,2-b]oxiren-7-yl]propansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-[(3aS,4R,7R,7aS)-1a,4-diméthyldécahydronaphto[1,2-b]oxirén-7-yl]propanoïque [French] [ACD/IUPAC Name]
Naphth[1,2-b]oxirene-7-acetic acid, decahydro-α,1a,4-trimethyl-, (αR,3aS,4R,7R,7aS)- [ACD/Index 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: 377.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 135.9±13.9 °C
Index of Refraction: 1.509
Molar Refractivity: 68.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 10.41
ACD/KOC (pH 5.5): 102.82
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 50 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 229.7±3.0 cm3

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