Found 1 result

Search term: 27023667 (Found by CSID)
ChemSpider 2D Image | penicillenone | C16H16O6

penicillenone

  • Molecular FormulaC16H16O6
  • Average mass304.295 Da
  • Monoisotopic mass304.094696 Da
  • ChemSpider ID27023667

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R,6Z)-2-Hydroxy-6-[hydroxy(2-hydroxy-4-methoxyphenyl)methylen]-2,5-dimethyl-4-cyclohexen-1,3-dion [German] [ACD/IUPAC Name]
(2R,6Z)-2-Hydroxy-6-[hydroxy(2-hydroxy-4-methoxyphenyl)methylene]-2,5-dimethyl-4-cyclohexene-1,3-dione [ACD/IUPAC Name]
(2R,6Z)-2-Hydroxy-6-[hydroxy(2-hydroxy-4-méthoxyphényl)méthylène]-2,5-diméthyl-4-cyclohexène-1,3-dione [French] [ACD/IUPAC Name]
4-Cyclohexene-1,3-dione, 2-hydroxy-6-[hydroxy(2-hydroxy-4-methoxyphenyl)methylene]-2,5-dimethyl-, (2R,6Z)- [ACD/Index Name]
penicillenone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 188.2±23.6 °C
Index of Refraction: 1.636
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.56
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.48
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 217.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement