ChemSpider 2D Image | (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)(1,1,1-~2~H_3_)-3-buten-2-one | C13H17D3O

(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)(1,1,1-2H3)-3-buten-2-one

  • Molecular FormulaC13H17D3O
  • Average mass195.316 Da
  • Monoisotopic mass195.170242 Da
  • ChemSpider ID13175124

  • 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)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)(1,1,1-2H3)-3-buten-2-on [German] [ACD/IUPAC Name]
(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)(1,1,1-2H3)-3-buten-2-one [ACD/IUPAC Name]
(3E)-4-(2,6,6-Triméthyl-1-cyclohexén-1-yl)(1,1,1-2H3)-3-butén-2-one [French] [ACD/IUPAC Name]
3-Buten-2-one-1,1,1-d3, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)- [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: 254.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.2±3.0 kJ/mol
Flash Point: 121.3±11.9 °C
Index of Refraction: 1.518
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 474.58
ACD/KOC (pH 5.5): 2866.22
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 474.58
ACD/KOC (pH 7.4): 2866.22
Polar Surface Area: 17 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 33.6±3.0 dyne/cm
Molar Volume: 203.7±3.0 cm3

Click to predict properties on the Chemicalize site


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