ChemSpider 2D Image | (6S)-2-Methyl-6-(4-methylphenyl)(7,7,7-~2~H_3_)-2-hepten-4-one | C15H17D3O

(6S)-2-Methyl-6-(4-methylphenyl)(7,7,7-2H3)-2-hepten-4-one

  • Molecular FormulaC15H17D3O
  • Average mass219.337 Da
  • Monoisotopic mass219.170242 Da
  • ChemSpider ID58785161

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6S)-2-Methyl-6-(4-methylphenyl)(7,7,7-2H3)-2-hepten-4-on [German] [ACD/IUPAC Name]
(6S)-2-Methyl-6-(4-methylphenyl)(7,7,7-2H3)-2-hepten-4-one [ACD/IUPAC Name]
(6S)-2-Méthyl-6-(4-méthylphényl)(7,7,7-2H3)-2-heptén-4-one [French] [ACD/IUPAC Name]
2-Hepten-4-one-7,7,7-d3, 2-methyl-6-(4-methylphenyl)-, (6S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 325.7±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 121.6±21.3 °C
Index of Refraction: 1.509
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 687.96
ACD/KOC (pH 5.5): 3738.77
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 687.96
ACD/KOC (pH 7.4): 3738.77
Polar Surface Area: 17 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 228.9±3.0 cm3

Click to predict properties on the Chemicalize site


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