ChemSpider 2D Image | O~15~-(2,2,4-Trimethyl-1,2-dihydro-5-quinolinyl)retinoic acid | C32H41NO2

O15-(2,2,4-Trimethyl-1,2-dihydro-5-quinolinyl)retinoic acid

  • Molecular FormulaC32H41NO2
  • Average mass471.673 Da
  • Monoisotopic mass471.313721 Da
  • ChemSpider ID23237973

  • Double-bond stereo - Double-bond stereo

More details:

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

O15-(2,2,4-Triméthyl-1,2-dihydro-5-quinoléinyl)rétinoïque acide [French] [ACD/IUPAC Name]
O15-(2,2,4-Trimethyl-1,2-dihydro-5-quinolinyl)retinoic acid [ACD/IUPAC Name]
O15-(2,2,4-trimethyl-1,2-dihydroquinolin-5-yl)retinoic acid
Retinoic acid, O15-(1,2-dihydro-2,2,4-trimethyl-5-quinolinyl)- [ACD/Index Name]
(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid 2,2,4-trimethyl-1,2-dihydro-quinolin-5-yl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL355080/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 610.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.2±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 149.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.14
ACD/LogD (pH 5.5): 9.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2899857.00
ACD/LogD (pH 7.4): 9.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2915782.00
Polar Surface Area: 38 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 460.6±3.0 cm3

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