Found 2 results

Search term: WONQLSBVWXXLGQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(1S,2R)-1,2-Dimethylbicyclo[3.1.0]hex-2-yl]-5-methylphenyl acetate | C17H22O2

2-[(1S,2R)-1,2-Dimethylbicyclo[3.1.0]hex-2-yl]-5-methylphenyl acetate

  • Molecular FormulaC17H22O2
  • Average mass258.355 Da
  • Monoisotopic mass258.161987 Da
  • ChemSpider ID68027428

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-[(1S,2R)-1,2-Dimethylbicyclo[3.1.0]hex-2-yl]-5-methylphenyl acetate [ACD/IUPAC Name]
2-[(1S,2R)-1,2-Dimethylbicyclo[3.1.0]hex-2-yl]-5-methylphenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-[(1S,2R)-1,2-diméthylbicyclo[3.1.0]hex-2-yl]-5-méthylphényle [French] [ACD/IUPAC Name]
Phenol, 2-[(1S,2R)-1,2-dimethylbicyclo[3.1.0]hex-2-yl]-5-methyl-, acetate [ACD/Index Name]
13002-87-4 [RN]
6-[[1S,2R,(-)]-1,2-Dimethylbicyclo[3.1.0]hexane-2-yl]-m-cresol acetate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 344.7±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 118.8±11.0 °C
Index of Refraction: 1.546
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2456.21
ACD/KOC (pH 5.5): 9297.10
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2456.21
ACD/KOC (pH 7.4): 9297.10
Polar Surface Area: 26 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 238.7±3.0 cm3

Click to predict properties on the Chemicalize site


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