ChemSpider 2D Image | (1aS,1bR,5aR,6aS,8aR)-6,6-Dichloro-2,2,5a,8a-tetramethyldodecahydrocyclopropa[1',7']cyclohepta[1',2':5,6]benzo[1,2-b]azirene | C16H25Cl2N

(1aS,1bR,5aR,6aS,8aR)-6,6-Dichloro-2,2,5a,8a-tetramethyldodecahydrocyclopropa[1',7']cyclohepta[1',2':5,6]benzo[1,2-b]azirene

  • Molecular FormulaC16H25Cl2N
  • Average mass302.282 Da
  • Monoisotopic mass301.136414 Da
  • ChemSpider ID30658406

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1aS,1bR,5aR,6aS,8aR)-6,6-Dichlor-2,2,5a,8a-tetramethyldodecahydrocyclopropa[1',7']cyclohepta[1',2':5,6]benzo[1,2-b]aziren [German] [ACD/IUPAC Name]
(1aS,1bR,5aR,6aS,8aR)-6,6-Dichloro-2,2,5a,8a-tetramethyldodecahydrocyclopropa[1',7']cyclohepta[1',2':5,6]benzo[1,2-b]azirene [ACD/IUPAC Name]
(1aS,1bR,5aR,6aS,8aR)-6,6-Dichloro-2,2,5a,8a-tétraméthyldodécahydrocyclopropa[1',7']cyclohepta[1',2':5,6]benzo[1,2-b]azirène [French] [ACD/IUPAC Name]
Cyclopropa[1',7']cyclohepta[1',2':5,6]benz[1,2-b]azirine, 6,6-dichlorododecahydro-2,2,5a,8a-tetramethyl-, (1aS,1bR,5aR,6aS,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: 360.2±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.6±3.0 kJ/mol
Flash Point: 171.6±25.1 °C
Index of Refraction: 1.561
Molar Refractivity: 81.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 19.17
ACD/KOC (pH 5.5): 89.78
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 650.01
ACD/KOC (pH 7.4): 3043.92
Polar Surface Area: 22 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 251.0±5.0 cm3

Click to predict properties on the Chemicalize site


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