ChemSpider 2D Image | (1S,5R)-1-[2-(2-Iodo-3-methoxyphenyl)-2-propen-1-yl]-2,7,7-trimethylbicyclo[3.1.1]heptan-6-one | C20H25IO2

(1S,5R)-1-[2-(2-Iodo-3-methoxyphenyl)-2-propen-1-yl]-2,7,7-trimethylbicyclo[3.1.1]heptan-6-one

  • Molecular FormulaC20H25IO2
  • Average mass424.316 Da
  • Monoisotopic mass424.089905 Da
  • ChemSpider ID75549162

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,5R)-1-[2-(2-Iod-3-methoxyphenyl)-2-propen-1-yl]-2,7,7-trimethylbicyclo[3.1.1]heptan-6-on [German] [ACD/IUPAC Name]
(1S,5R)-1-[2-(2-Iodo-3-methoxyphenyl)-2-propen-1-yl]-2,7,7-trimethylbicyclo[3.1.1]heptan-6-one [ACD/IUPAC Name]
(1S,5R)-1-[2-(2-Iodo-3-méthoxyphényl)-2-propén-1-yl]-2,7,7-triméthylbicyclo[3.1.1]heptan-6-one [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]heptan-6-one, 1-[2-(2-iodo-3-methoxyphenyl)-2-propen-1-yl]-2,7,7-trimethyl-, (1S,5R)- [ACD/Index 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: 458.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.1±27.3 °C
Index of Refraction: 1.570
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.86
ACD/BCF (pH 5.5): 16580.42
ACD/KOC (pH 5.5): 36473.18
ACD/LogD (pH 7.4): 5.86
ACD/BCF (pH 7.4): 16580.42
ACD/KOC (pH 7.4): 36473.18
Polar Surface Area: 26 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 312.2±3.0 cm3

Click to predict properties on the Chemicalize site


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