ChemSpider 2D Image | (3E,5Z)-6-(2-Methyl-2H-azepin-7-yl)-3,5-hexadien-1-yl propionate | C16H21NO2

(3E,5Z)-6-(2-Methyl-2H-azepin-7-yl)-3,5-hexadien-1-yl propionate

  • Molecular FormulaC16H21NO2
  • Average mass259.343 Da
  • Monoisotopic mass259.157227 Da
  • ChemSpider ID35013087

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,5Z)-6-(2-Methyl-2H-azepin-7-yl)-3,5-hexadien-1-yl propionate [ACD/IUPAC Name]
(3E,5Z)-6-(2-Methyl-2H-azepin-7-yl)-3,5-hexadien-1-ylpropionat [German] [ACD/IUPAC Name]
3,5-Hexadien-1-ol, 6-(2-methyl-2H-azepin-7-yl)-, propanoate (ester), (3E,5Z)- [ACD/Index Name]
Propionate de (3E,5Z)-6-(2-méthyl-2H-azépin-7-yl)-3,5-hexadién-1-yle [French] [ACD/IUPAC Name]
(3E,5Z)-6-(2-methyl-2H-azepin-7-yl)hexa-3,5-dien-1-yl propanoate
(3E,5Z)-6-(7-methyl-7H-azepin-2-yl)hexa-3,5-dien-1-yl propanoate
112448-75-6 [RN]
Norchalciporyl propionate

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: 1.0±0.1 g/cm3
Boiling Point: 382.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 151.7±22.3 °C
Index of Refraction: 1.498
Molar Refractivity: 78.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 7.13
ACD/KOC (pH 5.5): 58.70
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 118.78
ACD/KOC (pH 7.4): 978.21
Polar Surface Area: 39 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 33.7±7.0 dyne/cm
Molar Volume: 268.4±7.0 cm3

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