ChemSpider 2D Image | (6E,8Z)-9-(7-Methyl-3H-azepin-2-yl)-6,8-nonadien-3-one | C16H21NO

(6E,8Z)-9-(7-Methyl-3H-azepin-2-yl)-6,8-nonadien-3-one

  • Molecular FormulaC16H21NO
  • Average mass243.344 Da
  • Monoisotopic mass243.162308 Da
  • ChemSpider ID30777015

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E,8Z)-9-(7-Methyl-3H-azepin-2-yl)-6,8-nonadien-3-on [German] [ACD/IUPAC Name]
(6E,8Z)-9-(7-Methyl-3H-azepin-2-yl)-6,8-nonadien-3-one [ACD/IUPAC Name]
(6E,8Z)-9-(7-Méthyl-3H-azépin-2-yl)-6,8-nonadién-3-one [French] [ACD/IUPAC Name]
6,8-Nonadien-3-one, 9-(7-methyl-3H-azepin-2-yl)-, (6E,8Z)- [ACD/Index Name]
(6E,8Z)-9-(7-methyl-3H-azepin-2-yl)nona-6,8-dien-3-one
112448-72-3 [RN]
112448-74-5 [RN]
2-Methyl-7-(7-oxo-1,3-nonadienyl)-2H-azepine
7-Methyl-2-(7-oxo-1,3-nonadienyl)-3H-azepine
chalciporone

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

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

Density: 0.9±0.1 g/cm3
Boiling Point: 398.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 164.4±33.2 °C
Index of Refraction: 1.502
Molar Refractivity: 77.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.90
ACD/KOC (pH 5.5): 28.14
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 58.52
ACD/KOC (pH 7.4): 566.83
Polar Surface Area: 29 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 33.0±7.0 dyne/cm
Molar Volume: 261.9±7.0 cm3

Click to predict properties on the Chemicalize site


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