ChemSpider 2D Image | (4S)-1-Methyl-4-[(5Z)-6-methyl(7,7,7-~2~H_3_)-1,5-heptadien-2-yl]cyclohexene | C15H21D3

(4S)-1-Methyl-4-[(5Z)-6-methyl(7,7,7-2H3)-1,5-heptadien-2-yl]cyclohexene

  • Molecular FormulaC15H21D3
  • Average mass207.370 Da
  • Monoisotopic mass207.206635 Da
  • ChemSpider ID107444711

  • 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

(4S)-1-Methyl-4-[(5Z)-6-methyl(7,7,7-2H3)-1,5-heptadien-2-yl]cyclohexen [German] [ACD/IUPAC Name]
(4S)-1-Methyl-4-[(5Z)-6-methyl(7,7,7-2H3)-1,5-heptadien-2-yl]cyclohexene [ACD/IUPAC Name]
(4S)-1-Méthyl-4-[(5Z)-6-méthyl(7,7,7-2H3)-1,5-heptadién-2-yl]cyclohexène [French] [ACD/IUPAC Name]
Cyclohexene, 1-methyl-4-[(4Z)-5-methyl-1-methylene-4-hexen-1-yl-6,6,6-d3]-, (4S)- [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: 275.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 49.3±0.8 kJ/mol
Flash Point: 109.8±18.0 °C
Index of Refraction: 1.484
Molar Refractivity: 68.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14218.97
ACD/KOC (pH 5.5): 32674.67
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14218.97
ACD/KOC (pH 7.4): 32674.67
Polar Surface Area: 0 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 28.4±3.0 dyne/cm
Molar Volume: 239.2±3.0 cm3

Click to predict properties on the Chemicalize site


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