Found 3 results

Search term: IWVJMIGICFUHHO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6R,7R)-6,7-Dimethyl-2,3,6,7-tetrahydrocyclopenta[b]azepin-8(1H)-one | C11H15NO

(6R,7R)-6,7-Dimethyl-2,3,6,7-tetrahydrocyclopenta[b]azepin-8(1H)-one

  • Molecular FormulaC11H15NO
  • Average mass177.243 Da
  • Monoisotopic mass177.115356 Da
  • ChemSpider ID61405888

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7R)-6,7-Dimethyl-2,3,6,7-tetrahydrocyclopenta[b]azepin-8(1H)-on [German] [ACD/IUPAC Name]
(6R,7R)-6,7-Dimethyl-2,3,6,7-tetrahydrocyclopenta[b]azepin-8(1H)-one [ACD/IUPAC Name]
(6R,7R)-6,7-Diméthyl-2,3,6,7-tétrahydrocyclopenta[b]azépin-8(1H)-one [French] [ACD/IUPAC Name]
Cyclopent[b]azepin-8(1H)-one, 2,3,6,7-tetrahydro-6,7-dimethyl-, (6R,7R)- [ACD/Index Name]
97826-71-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 357.2±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.2±3.0 kJ/mol
Flash Point: 156.3±22.5 °C
Index of Refraction: 1.541
Molar Refractivity: 52.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 3.99
ACD/KOC (pH 5.5): 91.66
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 4.31
ACD/KOC (pH 7.4): 99.05
Polar Surface Area: 29 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 165.3±5.0 cm3

Click to predict properties on the Chemicalize site


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