ChemSpider 2D Image | (1S,3Z,7Z,9S,10S)-9-Hydroxy-10-isopropyl-3,7-dimethyl-3,7-cyclodecadien-1-yl 4-hydroxybenzoate | C22H30O4

(1S,3Z,7Z,9S,10S)-9-Hydroxy-10-isopropyl-3,7-dimethyl-3,7-cyclodecadien-1-yl 4-hydroxybenzoate

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID48065930

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3Z,7Z,9S,10S)-9-Hydroxy-10-isopropyl-3,7-dimethyl-3,7-cyclodecadien-1-yl 4-hydroxybenzoate [ACD/IUPAC Name]
(1S,3Z,7Z,9S,10S)-9-Hydroxy-10-isopropyl-3,7-dimethyl-3,7-cyclodecadien-1-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (1S,3Z,7Z,9S,10S)-9-hydroxy-10-isopropyl-3,7-diméthyl-3,7-cyclodécadién-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (1S,3Z,7Z,9S,10S)-9-hydroxy-3,7-dimethyl-10-(1-methylethyl)-3,7-cyclodecadien-1-yl ester [ACD/Index Name]
(1S,9S,10S)-9-hydroxy-10-isopropyl-3,7-dimethylcyclodeca-3,7-dien-1-yl 4-hydroxybenzoate
[(1S,3Z,7E,9S,10S)-9-hydroxy-3,7-dimethyl-10-propan-2-ylcyclodeca-3,7-dien-1-yl] 4-hydroxybenzoate
112514-63-3 [RN]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 508.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.0±3.0 kJ/mol
    Flash Point: 171.2±23.6 °C
    Index of Refraction: 1.559
    Molar Refractivity: 103.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 6.26
    ACD/LogD (pH 5.5): 5.70
    ACD/BCF (pH 5.5): 12526.47
    ACD/KOC (pH 5.5): 29820.83
    ACD/LogD (pH 7.4): 5.62
    ACD/BCF (pH 7.4): 10553.64
    ACD/KOC (pH 7.4): 25124.25
    Polar Surface Area: 67 Å2
    Polarizability: 40.8±0.5 10-24cm3
    Surface Tension: 46.3±5.0 dyne/cm
    Molar Volume: 319.1±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement