ChemSpider 2D Image | (3E,5Z,7E)-6-Methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)(1,1,1-~2~H_3_)-3,5,7-octatrien-2-one | C18H23D3O

(3E,5Z,7E)-6-Methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)(1,1,1-2H3)-3,5,7-octatrien-2-one

  • Molecular FormulaC18H23D3O
  • Average mass261.417 Da
  • Monoisotopic mass261.217194 Da
  • ChemSpider ID8976714

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(3E,5Z,7E)-6-Methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)(1,1,1-2H3)-3,5,7-octatrien-2-on [German] [ACD/IUPAC Name]
(3E,5Z,7E)-6-Methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)(1,1,1-2H3)-3,5,7-octatrien-2-one [ACD/IUPAC Name]
(3E,5Z,7E)-6-Méthyl-8-(2,6,6-triméthyl-1-cyclohexén-1-yl)(1,1,1-2H3)-3,5,7-octatrién-2-one [French] [ACD/IUPAC Name]
3,5,7-Octatrien-2-one-1,1,1-d3, 6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E,5Z,7E)- [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: 382.7±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 174.2±12.5 °C
Index of Refraction: 1.533
Molar Refractivity: 84.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5365.64
ACD/KOC (pH 5.5): 16265.06
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5365.64
ACD/KOC (pH 7.4): 16265.06
Polar Surface Area: 17 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 273.2±3.0 cm3

Click to predict properties on the Chemicalize site


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