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Search term: 28548227 (Found by CSID)
ChemSpider 2D Image | sorbicillinol | C14H16O4

sorbicillinol

  • Molecular FormulaC14H16O4
  • Average mass248.274 Da
  • Monoisotopic mass248.104858 Da
  • ChemSpider ID28548227

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-4-[(2E,4E)-2,4-Hexadienoyl]-3,6-dihydroxy-2,6-dimethyl-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
(6S)-4-[(2E,4E)-2,4-Hexadienoyl]-3,6-dihydroxy-2,6-dimethyl-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
(6S)-4-[(2E,4E)-2,4-Hexadienoyl]-3,6-dihydroxy-2,6-diméthyl-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 3,6-dihydroxy-2,6-dimethyl-4-[(2E,4E)-1-oxo-2,4-hexadien-1-yl]-, (6S)- [ACD/Index Name]
sorbicillinol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 401.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 210.8±25.2 °C
Index of Refraction: 1.587
Molar Refractivity: 67.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.65
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 200.4±3.0 cm3

Click to predict properties on the Chemicalize site


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