ChemSpider 2D Image | 2-[(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl (4-chloro-2-methylphenoxy)acetate | C20H25ClO3

2-[(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl (4-chloro-2-methylphenoxy)acetate

  • Molecular FormulaC20H25ClO3
  • Average mass348.864 Da
  • Monoisotopic mass348.149231 Da
  • ChemSpider ID62487157

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4-Chloro-2-méthylphénoxy)acétate de 2-[(1S,5R)-6,6-diméthylbicyclo[3.1.1]hept-2-én-2-yl]éthyle [French] [ACD/IUPAC Name]
2-[(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl (4-chloro-2-methylphenoxy)acetate [ACD/IUPAC Name]
2-[(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl-(4-chlor-2-methylphenoxy)acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-(4-chloro-2-methylphenoxy)-, 2-[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 443.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 153.4±26.3 °C
Index of Refraction: 1.538
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23691.23
ACD/KOC (pH 5.5): 47088.51
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23691.23
ACD/KOC (pH 7.4): 47088.51
Polar Surface Area: 36 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 305.6±3.0 cm3

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