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

(2E)-2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-2-octenoic acid

  • Molecular FormulaC14H23NO3
  • Average mass253.337 Da
  • Monoisotopic mass253.167801 Da
  • ChemSpider ID11547512

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-2-octenoic acid [ACD/IUPAC Name]
(2E)-2-{[(2,2-Dimethylcyclopropyl)carbonyl]amino}-2-octensäure [German] [ACD/IUPAC Name]
2-Octenoic acid, 2-[[(2,2-dimethylcyclopropyl)carbonyl]amino]-, (2E)- [ACD/Index Name]
Acide (2E)-2-{[(2,2-diméthylcyclopropyl)carbonyl]amino}-2-octénoïque [French] [ACD/IUPAC Name]
(2E)-2-{[(2,2-dimethylcyclopropyl)carbonyl]amino}oct-2-enoic acid
2-[(2,2-Dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid
2-[(2,2-Dimethyl-cyclopropanecarbonyl)-amino]-oct-2-enoic acid
85394-14-5 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL427640/
MK789

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): 2.06
ACD/BCF (pH 5.5): 9.84
ACD/KOC (pH 5.5): 70.69
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
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

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