ChemSpider 2D Image | (11cis)-O~15~-Methylretinoic acid | C21H30O2

(11cis)-O15-Methylretinoic acid

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID48063289

  • Double-bond stereo - Double-bond stereo

More details:

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

(11cis)-O15-Methylretinoic acid [ACD/IUPAC Name]
(11cis)-O15-Méthylrétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, O15-methyl-, (11cis)- [ACD/Index Name]
(2E,4Z,6E,8E)-methyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
11-cis Retinoic Acid Methyl Ester
11-cis-Retinoic Acid Methyl Ester
11-cis-retinoicacidmethylester
1451391-73-3 [RN]
25428-67-5 [RN]
METHYL (2E,4Z,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENOATE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 426.1±14.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±3.0 kJ/mol
    Flash Point: 229.8±11.2 °C
    Index of Refraction: 1.535
    Molar Refractivity: 100.4±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 7.34
    ACD/LogD (pH 5.5): 6.45
    ACD/BCF (pH 5.5): 47048.88
    ACD/KOC (pH 5.5): 76947.28
    ACD/LogD (pH 7.4): 6.45
    ACD/BCF (pH 7.4): 47048.88
    ACD/KOC (pH 7.4): 76947.28
    Polar Surface Area: 26 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 35.4±3.0 dyne/cm
    Molar Volume: 322.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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