ChemSpider 2D Image | lyngbioic acid | C13H24O2

lyngbioic acid

  • Molecular FormulaC13H24O2
  • Average mass212.329 Da
  • Monoisotopic mass212.177628 Da
  • ChemSpider ID27026472

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-[(1R,2R)-2-Heptylcyclopropyl]propanoic acid [ACD/IUPAC Name]
3-[(1R,2R)-2-Heptylcyclopropyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(1R,2R)-2-heptylcyclopropyl]propanoïque [French] [ACD/IUPAC Name]
Cyclopropanepropanoic acid, 2-heptyl-, (1R,2R)- [ACD/Index Name]
lyngbioic acid
3-((1R,2R)-2-Heptylcycloprop-1-yl)propionic acid
3-((1R,2R)-2-heptylcyclopropyl)propanoic acid
Lyngbyoate
Lyngbyoic acid
trans-3-(2-hexylcyclopropyl)-butanoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 316.1±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.3±6.0 kJ/mol
Flash Point: 147.1±10.3 °C
Index of Refraction: 1.469
Molar Refractivity: 61.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 280.80
ACD/KOC (pH 5.5): 1166.97
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 4.50
ACD/KOC (pH 7.4): 18.71
Polar Surface Area: 37 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement