ChemSpider 2D Image | 3-[(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadien-1-yl]-4-oxo-13,14-dihydroretinoic acid | C35H50O3

3-[(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadien-1-yl]-4-oxo-13,14-dihydroretinoic acid

  • Molecular FormulaC35H50O3
  • Average mass518.770 Da
  • Monoisotopic mass518.375977 Da
  • ChemSpider ID107438212

  • Double-bond stereo - Double-bond stereo

More details:

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

3-[(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadien-1-yl]-4-oxo-13,14-dihydroretinoic acid [ACD/IUPAC Name]
3-[(2E,4E)-3-Méthyl-5-(2,6,6-triméthyl-1-cyclohexén-1-yl)-2,4-pentadién-1-yl]-4-oxo-13,14-dihydrorétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, 13,14-dihydro-3-[(2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadien-1-yl]-4-oxo- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 657.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 365.4±22.2 °C
Index of Refraction: 1.559
Molar Refractivity: 164.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.46
ACD/LogD (pH 5.5): 8.39
ACD/BCF (pH 5.5): 788027.06
ACD/KOC (pH 5.5): 291223.72
ACD/LogD (pH 7.4): 6.59
ACD/BCF (pH 7.4): 12425.33
ACD/KOC (pH 7.4): 4591.91
Polar Surface Area: 54 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 509.6±3.0 cm3

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