ChemSpider 2D Image | (2Z)-2-({[(1R)-2,2-Dimethylcyclopropyl]carbonyl}amino)-2-octenoic acid | C14H23NO3

(2Z)-2-({[(1R)-2,2-Dimethylcyclopropyl]carbonyl}amino)-2-octenoic acid

  • Molecular FormulaC14H23NO3
  • Average mass253.337 Da
  • Monoisotopic mass253.167801 Da
  • ChemSpider ID28515573

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z)-2-({[(1R)-2,2-Dimethylcyclopropyl]carbonyl}amino)-2-octenoic acid [ACD/IUPAC Name]
(2Z)-2-({[(1R)-2,2-Dimethylcyclopropyl]carbonyl}amino)-2-octensäure [German] [ACD/IUPAC Name]
2-Octenoic acid, 2-[[[(1R)-2,2-dimethylcyclopropyl]carbonyl]amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-({[(1R)-2,2-diméthylcyclopropyl]carbonyl}amino)-2-octénoïque [French] [ACD/IUPAC 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: 454.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.2±6.0 kJ/mol
Flash Point: 228.4±26.5 °C
Index of Refraction: 1.505
Molar Refractivity: 69.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 8.80
ACD/KOC (pH 5.5): 63.23
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 66 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 235.3±3.0 cm3

Click to predict properties on the Chemicalize site


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