ChemSpider 2D Image | (1E)-3-(~2~H_3_)Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol | C15H21D3O

(1E)-3-(2H3)Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol

  • Molecular FormulaC15H21D3O
  • Average mass223.369 Da
  • Monoisotopic mass223.201553 Da
  • ChemSpider ID48059928

  • 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

(1E)-3-(2H3)Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol [German] [ACD/IUPAC Name]
(1E)-3-(2H3)Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol [ACD/IUPAC Name]
(1E)-3-(2H3)Méthyl-1-(2,6,6-triméthyl-1-cyclohexén-1-yl)-1,4-pentadién-3-ol [French] [ACD/IUPAC Name]
1,4-Pentadien-3-ol, 3-(methyl-d3)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (1E)- [ACD/Index Name]
(1E)-3-(trideuteriomethyl)-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
77265-43-1 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 315.3±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.5±6.0 kJ/mol
Flash Point: 115.5±15.6 °C
Index of Refraction: 1.534
Molar Refractivity: 72.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.04
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3058.11
ACD/KOC (pH 5.5): 10876.33
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3058.11
ACD/KOC (pH 7.4): 10876.32
Polar Surface Area: 20 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 232.2±3.0 cm3

Click to predict properties on the Chemicalize site


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