ChemSpider 2D Image | 5,6-Dihydroretinoic acid | C20H30O2

5,6-Dihydroretinoic acid

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID10607936

  • Double-bond stereo - Double-bond stereo

More details:

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

5,6-Dihydroretinoic acid [ACD/IUPAC Name]
5,6-Dihydrorétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, 5,6-dihydro- [ACD/Index Name]
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenoic acid
3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenoic acid
All-trans-Retinyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520689/

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 445.2±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±6.0 kJ/mol
Flash Point: 335.7±11.0 °C
Index of Refraction: 1.536
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 4182.78
ACD/KOC (pH 5.5): 7880.96
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 66.55
ACD/KOC (pH 7.4): 125.39
Polar Surface Area: 37 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 307.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement