ChemSpider 2D Image | 8-[(1R,2S)-2-{[(1S,2R)-2-Pentylcyclopropyl]methyl}cyclopropyl]octanoic acid | C20H36O2

8-[(1R,2S)-2-{[(1S,2R)-2-Pentylcyclopropyl]methyl}cyclopropyl]octanoic acid

  • Molecular FormulaC20H36O2
  • Average mass308.499 Da
  • Monoisotopic mass308.271515 Da
  • ChemSpider ID32821987

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

8-[(1R,2S)-2-{[(1S,2R)-2-Pentylcyclopropyl]methyl}cyclopropyl]octanoic acid [ACD/IUPAC Name]
8-[(1R,2S)-2-{[(1S,2R)-2-Pentylcyclopropyl]methyl}cyclopropyl]octansäure [German] [ACD/IUPAC Name]
Acide 8-[(1R,2S)-2-{[(1S,2R)-2-pentylcyclopropyl]méthyl}cyclopropyl]octanoïque [French] [ACD/IUPAC Name]
Cyclopropaneoctanoic acid, 2-[[(1S,2R)-2-pentylcyclopropyl]methyl]-, (1R,2S)- [ACD/Index Name]
28399-31-7 [RN]
8-((1R,2S)-2-(((1S,2R)-2-pentylcyclopropyl)methyl)cyclopropyl)octanoic acid
FR 236924

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

Density: 1.0±0.1 g/cm3
Boiling Point: 417.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±6.0 kJ/mol
Flash Point: 184.5±11.2 °C
Index of Refraction: 1.491
Molar Refractivity: 92.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.81
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 26348.09
ACD/KOC (pH 5.5): 30173.60
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 422.67
ACD/KOC (pH 7.4): 484.04
Polar Surface Area: 37 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 318.4±3.0 cm3

Click to predict properties on the Chemicalize site


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