ChemSpider 2D Image | (3Z,5Z)-3,5,6-Tris(hydroxymethylene)-4-(mesitylmethyl)-2-methyl-1-cyclohexene-1-carboxylic acid | C21H24O5

(3Z,5Z)-3,5,6-Tris(hydroxymethylene)-4-(mesitylmethyl)-2-methyl-1-cyclohexene-1-carboxylic acid

  • Molecular FormulaC21H24O5
  • Average mass356.412 Da
  • Monoisotopic mass356.162384 Da
  • ChemSpider ID95632870

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z,5Z)-3,5,6-Tris(hydroxymethylen)-4-(mesitylmethyl)-2-methyl-1-cyclohexen-1-carbonsäure [German] [ACD/IUPAC Name]
(3Z,5Z)-3,5,6-Tris(hydroxymethylene)-4-(mesitylmethyl)-2-methyl-1-cyclohexene-1-carboxylic acid [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 3,5,6-tris(hydroxymethylene)-2-methyl-4-[(2,4,6-trimethylphenyl)methyl]-, (3Z,5Z)- [ACD/Index Name]
Acide (3Z,5Z)-3,5,6-tris(hydroxyméthylène)-4-(mésitylméthyl)-2-méthyl-1-cyclohexène-1-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 498.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 269.3±25.2 °C
Index of Refraction: 1.783
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 10.65
ACD/KOC (pH 5.5): 119.65
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.98
Polar Surface Area: 98 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 91.7±3.0 dyne/cm
Molar Volume: 249.7±3.0 cm3

Click to predict properties on the Chemicalize site


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