ChemSpider 2D Image | (1S,2S,3Z,5R,8Z)-5-Hydroxy-2-isopropyl-5,9-dimethyl-3,8-cyclodecadien-1-yl 4-hydroxybenzoate | C22H30O4

(1S,2S,3Z,5R,8Z)-5-Hydroxy-2-isopropyl-5,9-dimethyl-3,8-cyclodecadien-1-yl 4-hydroxybenzoate

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID64858938
  • 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,2S,3Z,5R,8Z)-5-Hydroxy-2-isopropyl-5,9-dimethyl-3,8-cyclodecadien-1-yl 4-hydroxybenzoate [ACD/IUPAC Name]
(1S,2S,3Z,5R,8Z)-5-Hydroxy-2-isopropyl-5,9-dimethyl-3,8-cyclodecadien-1-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (1S,2S,3Z,5R,8Z)-5-hydroxy-2-isopropyl-5,9-diméthyl-3,8-cyclodécadién-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (1S,2S,3Z,5R,8Z)-5-hydroxy-5,9-dimethyl-2-(1-methylethyl)-3,8-cyclodecadien-1-yl ester [ACD/Index Name]
(1S,2S,5R)-5-hydroxy-2-isopropyl-5,9-dimethylcyclodeca-3,8-dien-1-yl 4-hydroxybenzoate
c22h30o4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 497.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 166.4±22.2 °C
Index of Refraction: 1.561
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 7004.32
ACD/KOC (pH 5.5): 19670.23
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 5901.57
ACD/KOC (pH 7.4): 16573.37
Polar Surface Area: 67 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 319.1±5.0 cm3

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