ChemSpider 2D Image | (5E)-7-{(1R,2R,5S)-3-[(1E,3S)-3-Hydroxy-1-octen-1-yl]bicyclo[3.1.1]hept-2-yl}-5-heptenoic acid | C22H36O3

(5E)-7-{(1R,2R,5S)-3-[(1E,3S)-3-Hydroxy-1-octen-1-yl]bicyclo[3.1.1]hept-2-yl}-5-heptenoic acid

  • Molecular FormulaC22H36O3
  • Average mass348.519 Da
  • Monoisotopic mass348.266449 Da
  • ChemSpider ID114814162

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5E)-7-{(1R,2R,5S)-3-[(1E,3S)-3-Hydroxy-1-octen-1-yl]bicyclo[3.1.1]hept-2-yl}-5-heptenoic acid [ACD/IUPAC Name]
(5E)-7-{(1R,2R,5S)-3-[(1E,3S)-3-Hydroxy-1-octen-1-yl]bicyclo[3.1.1]hept-2-yl}-5-heptensäure [German] [ACD/IUPAC Name]
5-Heptenoic acid, 7-[(2R)-3-[(1E,3S)-3-hydroxy-1-octen-1-yl]bicyclo[3.1.1]hept-2-yl]-, (5E)- [ACD/Index Name]
Acide (5E)-7-{(1R,2R,5S)-3-[(1E,3S)-3-hydroxy-1-octén-1-yl]bicyclo[3.1.1]hept-2-yl}-5-hepténoïque [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: 500.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 270.3±19.7 °C
Index of Refraction: 1.549
Molar Refractivity: 104.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.17
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 3442.52
ACD/KOC (pH 5.5): 6961.91
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 55.03
ACD/KOC (pH 7.4): 111.29
Polar Surface Area: 58 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 329.9±3.0 cm3

Click to predict properties on the Chemicalize site


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