ChemSpider 2D Image | O~15~-(3,3-Dimethyl-2-oxobutyl)retinoic acid | C26H38O3

O15-(3,3-Dimethyl-2-oxobutyl)retinoic acid

  • Molecular FormulaC26H38O3
  • Average mass398.578 Da
  • Monoisotopic mass398.282104 Da
  • ChemSpider ID114811439

  • Double-bond stereo - Double-bond stereo

More details:

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

O15-(3,3-Dimethyl-2-oxobutyl)retinoic acid [ACD/IUPAC Name]
O15-(3,3-Diméthyl-2-oxobutyl)rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, O15-(3,3-dimethyl-2-oxobutyl)- [ACD/Index Name]
893412-73-2 [RN]
HYDROXYPINACOLONE RETINOATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 508.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.9±3.0 kJ/mol
Flash Point: 214.9±25.4 °C
Index of Refraction: 1.526
Molar Refractivity: 123.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 148897.64
ACD/KOC (pH 5.5): 175521.53
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 148897.64
ACD/KOC (pH 7.4): 175521.53
Polar Surface Area: 43 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 402.2±3.0 cm3

Click to predict properties on the Chemicalize site


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