ChemSpider 2D Image | (1S,2R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate | C15H26O2

(1S,2R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID21242875

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,2R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate [ACD/IUPAC Name]
(1S,2R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (1S,2R)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (1S,2R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index 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: 260.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.8±3.0 kJ/mol
Flash Point: 117.3±6.0 °C
Index of Refraction: 1.478
Molar Refractivity: 69.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2289.97
ACD/KOC (pH 5.5): 8842.24
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2289.97
ACD/KOC (pH 7.4): 8842.24
Polar Surface Area: 26 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 32.6±5.0 dyne/cm
Molar Volume: 244.4±5.0 cm3

Click to predict properties on the Chemicalize site


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