ChemSpider 2D Image | (5Z)-3-Chloro-2-[(2Z)-2-penten-4-yn-1-yl]-8-[(1E)-1-propen-1-yl]-3,4,7,8-tetrahydro-2H-oxocine | C15H19ClO

(5Z)-3-Chloro-2-[(2Z)-2-penten-4-yn-1-yl]-8-[(1E)-1-propen-1-yl]-3,4,7,8-tetrahydro-2H-oxocine

  • Molecular FormulaC15H19ClO
  • Average mass250.764 Da
  • Monoisotopic mass250.112442 Da
  • ChemSpider ID34981508

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-3-Chlor-2-[(2Z)-2-penten-4-in-1-yl]-8-[(1E)-1-propen-1-yl]-3,4,7,8-tetrahydro-2H-oxocin [German] [ACD/IUPAC Name]
(5Z)-3-Chloro-2-[(2Z)-2-penten-4-yn-1-yl]-8-[(1E)-1-propen-1-yl]-3,4,7,8-tetrahydro-2H-oxocine [ACD/IUPAC Name]
(5Z)-3-Chloro-2-[(2Z)-2-pentén-4-yn-1-yl]-8-[(1E)-1-propén-1-yl]-3,4,7,8-tétrahydro-2H-oxocine [French] [ACD/IUPAC Name]
2H-Oxocin, 3-chloro-3,4,7,8-tetrahydro-2-[(2Z)-2-penten-4-yn-1-yl]-8-[(1E)-1-propen-1-yl]-, (5Z)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 345.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.6±3.0 kJ/mol
Flash Point: 162.8±21.9 °C
Index of Refraction: 1.520
Molar Refractivity: 73.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.68
ACD/BCF (pH 5.5): 369.58
ACD/KOC (pH 5.5): 2396.47
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 369.58
ACD/KOC (pH 7.4): 2396.47
Polar Surface Area: 9 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 241.7±5.0 cm3

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