ChemSpider 2D Image | 8-{(1R,2S)-2-[(1E,3S,4S,6Z)-3,4-Dihydroxy-1,6-dodecadien-1-yl]cyclopropyl}-2-oxocanone | C22H36O4

8-{(1R,2S)-2-[(1E,3S,4S,6Z)-3,4-Dihydroxy-1,6-dodecadien-1-yl]cyclopropyl}-2-oxocanone

  • Molecular FormulaC22H36O4
  • Average mass364.519 Da
  • Monoisotopic mass364.261353 Da
  • ChemSpider ID44210809

  • 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

2-Oxocanone, 8-[(1R,2S)-2-[(1E,3S,4S,6Z)-3,4-dihydroxy-1,6-dodecadien-1-yl]cyclopropyl]- [ACD/Index Name]
8-{(1R,2S)-2-[(1E,3S,4S,6Z)-3,4-Dihydroxy-1,6-dodecadien-1-yl]cyclopropyl}-2-oxocanon [German] [ACD/IUPAC Name]
8-{(1R,2S)-2-[(1E,3S,4S,6Z)-3,4-Dihydroxy-1,6-dodecadien-1-yl]cyclopropyl}-2-oxocanone [ACD/IUPAC Name]
8-{(1R,2S)-2-[(1E,3S,4S,6Z)-3,4-Dihydroxy-1,6-dodécadién-1-yl]cyclopropyl}-2-oxocanone [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: 548.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.1±6.0 kJ/mol
Flash Point: 184.7±23.6 °C
Index of Refraction: 1.558
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1753.88
ACD/KOC (pH 5.5): 7305.56
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1753.88
ACD/KOC (pH 7.4): 7305.56
Polar Surface Area: 67 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 330.2±3.0 cm3

Click to predict properties on the Chemicalize site


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