ChemSpider 2D Image | (1S,9R)-9-Ethyl-8,8-dimethoxy-10,12-dimethyl(11-~2~H)tricyclo[7.2.1.0~2,7~]dodeca-2,4,6,10-tetraene | C18H23DO2

(1S,9R)-9-Ethyl-8,8-dimethoxy-10,12-dimethyl(11-2H)tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene

  • Molecular FormulaC18H23DO2
  • Average mass273.388 Da
  • Monoisotopic mass273.183899 Da
  • ChemSpider ID77416016

  • defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S,9R)-9-Ethyl-8,8-dimethoxy-10,12-dimethyl(11-2H)tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraen [German] [ACD/IUPAC Name]
(1S,9R)-9-Ethyl-8,8-dimethoxy-10,12-dimethyl(11-2H)tricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene [ACD/IUPAC Name]
(1S,9R)-9-Éthyl-8,8-diméthoxy-10,12-diméthyl(11-2H)tricyclo[7.2.1.02,7]dodéca-2,4,6,10-tétraène [French] [ACD/IUPAC Name]
5,8-Methano-5H-benzocycloheptene-6-d, 8-ethyl-8,9-dihydro-9,9-dimethoxy-7,10-dimethyl-, (5S,8R)- [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: 333.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.4±3.0 kJ/mol
Flash Point: 112.9±27.4 °C
Index of Refraction: 1.547
Molar Refractivity: 81.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1221.02
ACD/KOC (pH 5.5): 5637.36
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1221.02
ACD/KOC (pH 7.4): 5637.36
Polar Surface Area: 18 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 256.4±5.0 cm3

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