ChemSpider 2D Image | (2E)-{3-[(1E,3Z)-2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]-2-cyclohexen-1-ylidene}acetonitrile | C22H29N

(2E)-{3-[(1E,3Z)-2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]-2-cyclohexen-1-ylidene}acetonitrile

  • Molecular FormulaC22H29N
  • Average mass307.472 Da
  • Monoisotopic mass307.230011 Da
  • ChemSpider ID30653352

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-{3-[(1E,3Z)-2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]-2-cyclohexen-1-yliden}acetonitril [German] [ACD/IUPAC Name]
(2E)-{3-[(1E,3Z)-2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]-2-cyclohexen-1-ylidene}acetonitrile [ACD/IUPAC Name]
(2E)-{3-[(1E,3Z)-2-Méthyl-4-(2,6,6-triméthyl-1-cyclohexén-1-yl)-1,3-butadién-1-yl]-2-cyclohexén-1-ylidène}acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[3-[(1E,3Z)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl]-2-cyclohexen-1-ylidene]-, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 466.5±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 237.7±12.6 °C
Index of Refraction: 1.639
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 77421.94
ACD/KOC (pH 5.5): 109907.91
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77421.94
ACD/KOC (pH 7.4): 109907.91
Polar Surface Area: 24 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 289.0±3.0 cm3

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