ChemSpider 2D Image | (1S,7R,8E)-10,10-Dichloro-8-(chloromethylene)-7-methoxytricyclo[5.2.1.0~1,5~]dec-5-ene | C12H13Cl3O

(1S,7R,8E)-10,10-Dichloro-8-(chloromethylene)-7-methoxytricyclo[5.2.1.01,5]dec-5-ene

  • Molecular FormulaC12H13Cl3O
  • Average mass279.590 Da
  • Monoisotopic mass278.003204 Da
  • ChemSpider ID21186143

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,7R,8E)-10,10-Dichlor-8-(chlormethylen)-7-methoxytricyclo[5.2.1.01,5]dec-5-en [German] [ACD/IUPAC Name]
(1S,7R,8E)-10,10-Dichloro-8-(chloromethylene)-7-methoxytricyclo[5.2.1.01,5]dec-5-ene [ACD/IUPAC Name]
(1S,7R,8E)-10,10-Dichloro-8-(chlorométhylène)-7-méthoxytricyclo[5.2.1.01,5]déc-5-ène [French] [ACD/IUPAC Name]
3a,6-Methano-3aH-indene, 8,8-dichloro-5-(chloromethylene)-1,2,3,4,5,6-hexahydro-6-methoxy-, (3aS,5E,6R)- [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: 388.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.2±3.0 kJ/mol
Flash Point: 149.5±28.0 °C
Index of Refraction: 1.590
Molar Refractivity: 67.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 426.76
ACD/KOC (pH 5.5): 2656.39
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 426.76
ACD/KOC (pH 7.4): 2656.39
Polar Surface Area: 9 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 198.9±5.0 cm3

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