ChemSpider 2D Image | (1aS,4E,4aS,8aR)-4-(1-Aminoethylidene)-1,1-dichloro-5,5,8a-trimethyloctahydrocyclopropa[d]azulen-3(2H)-one | C16H23Cl2NO

(1aS,4E,4aS,8aR)-4-(1-Aminoethylidene)-1,1-dichloro-5,5,8a-trimethyloctahydrocyclopropa[d]azulen-3(2H)-one

  • Molecular FormulaC16H23Cl2NO
  • Average mass316.266 Da
  • Monoisotopic mass315.115662 Da
  • ChemSpider ID30656524

  • 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

(1aS,4E,4aS,8aR)-4-(1-Aminoethyliden)-1,1-dichlor-5,5,8a-trimethyloctahydrocyclopropa[d]azulen-3(2H)-on [German] [ACD/IUPAC Name]
(1aS,4E,4aS,8aR)-4-(1-Aminoethylidene)-1,1-dichloro-5,5,8a-trimethyloctahydrocyclopropa[d]azulen-3(2H)-one [ACD/IUPAC Name]
(1aS,4E,4aS,8aR)-4-(1-Aminoéthylidène)-1,1-dichloro-5,5,8a-triméthyloctahydrocyclopropa[d]azulén-3(2H)-one [French] [ACD/IUPAC Name]
Cycloprop[d]azulen-3(2H)-one, 4-(1-aminoethylidene)-1,1-dichlorooctahydro-5,5,8a-trimethyl-, (1aS,4E,4aS,8aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 405.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 199.2±28.7 °C
Index of Refraction: 1.564
Molar Refractivity: 82.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 164.00
ACD/KOC (pH 5.5): 1079.68
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 345.38
ACD/KOC (pH 7.4): 2273.75
Polar Surface Area: 43 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 254.8±5.0 cm3

Click to predict properties on the Chemicalize site


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