ChemSpider 2D Image | {4-[2,6-Dimethoxy-4-(2-methyl-2-octanyl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methanol | C27H42O3

{4-[2,6-Dimethoxy-4-(2-methyl-2-octanyl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methanol

  • Molecular FormulaC27H42O3
  • Average mass414.621 Da
  • Monoisotopic mass414.313385 Da
  • ChemSpider ID19599088

More details:

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

{4-[2,6-Dimethoxy-4-(2-methyl-2-octanyl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methanol [ACD/IUPAC Name]
{4-[2,6-Dimethoxy-4-(2-methyl-2-octanyl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methanol [German] [ACD/IUPAC Name]
{4-[2,6-Diméthoxy-4-(2-méthyl-2-octanyl)phényl]-6,6-diméthylbicyclo[3.1.1]hept-2-én-2-yl}méthanol [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]hept-2-ene-2-methanol, 4-[4-(1,1-dimethylheptyl)-2,6-dimethoxyphenyl]-6,6-dimethyl- [ACD/Index Name]
[4-[2,6-Dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
{4-[2,6-DIMETHOXY-4-(2-METHYLOCTAN-2-YL)PHENYL]-6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL}METHANOL
4-[4-(1,1-dimethylheptyl)-2,6-dimethoxyphenyl]-6,6-dimethyl-bicyclo[3.1.1]hept-2-ene-2-methanol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 508.7±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: 261.4±30.1 °C
Index of Refraction: 1.514
Molar Refractivity: 124.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 8.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1089715.13
ACD/LogD (pH 7.4): 8.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1089715.13
Polar Surface Area: 39 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 414.9±3.0 cm3

Click to predict properties on the Chemicalize site


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