ChemSpider 2D Image | 4-{(1R,2R)-2-[(1E,3E,5Z,8Z)-1,3,5,8-Tetradecatetraen-1-yl]cyclopropyl}butanoic acid | C21H32O2

4-{(1R,2R)-2-[(1E,3E,5Z,8Z)-1,3,5,8-Tetradecatetraen-1-yl]cyclopropyl}butanoic acid

  • Molecular FormulaC21H32O2
  • Average mass316.478 Da
  • Monoisotopic mass316.240234 Da
  • ChemSpider ID23261935

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{(1R,2R)-2-[(1E,3E,5Z,8Z)-1,3,5,8-Tetradecatetraen-1-yl]cyclopropyl}butanoic acid [ACD/IUPAC Name]
4-{(1R,2R)-2-[(1E,3E,5Z,8Z)-1,3,5,8-Tetradecatetraen-1-yl]cyclopropyl}butansäure [German] [ACD/IUPAC Name]
4-{(1R,2R)-2-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraen-1-yl]cyclopropyl}butanoic acid
Acide 4-{(1R,2R)-2-[(1E,3E,5Z,8Z)-1,3,5,8-tétradécatétraén-1-yl]cyclopropyl}butanoïque [French] [ACD/IUPAC Name]
Cyclopropanebutanoic acid, 2-[(1E,3E,5Z,8Z)-1,3,5,8-tetradecatetraen-1-yl]-, (1R,2R)- [ACD/Index Name]
4-[(1R,2R)-((1E,3E,5Z)-2-Tetradeca-1,3,5,8-tetraenyl)-cyclopropyl]-butyric 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: 462.1±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±6.0 kJ/mol
Flash Point: 358.7±15.2 °C
Index of Refraction: 1.550
Molar Refractivity: 100.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 9920.69
ACD/KOC (pH 5.5): 15437.22
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 161.13
ACD/KOC (pH 7.4): 250.73
Polar Surface Area: 37 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 316.8±3.0 cm3

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