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Search term: 32775043 (Found by CSID)
ChemSpider 2D Image | Vertinolide | C14H18O4

Vertinolide

  • Molecular FormulaC14H18O4
  • Average mass250.290 Da
  • Monoisotopic mass250.120514 Da
  • ChemSpider ID32775043

  • Double-bond stereo - Double-bond stereo

More details:

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

(±)-vertinolide
2(5H)-Furanone, 4-hydroxy-3,5-dimethyl-5-[(4E,6E)-3-oxo-4,6-octadien-1-yl]- [ACD/Index Name]
4-Hydroxy-3,5-dimethyl-5-[(4E,6E)-3-oxo-4,6-octadien-1-yl]-2(5H)-furanon [German] [ACD/IUPAC Name]
4-Hydroxy-3,5-dimethyl-5-[(4E,6E)-3-oxo-4,6-octadien-1-yl]-2(5H)-furanone [ACD/IUPAC Name]
4-Hydroxy-3,5-diméthyl-5-[(4E,6E)-3-oxo-4,6-octadién-1-yl]-2(5H)-furanone [French] [ACD/IUPAC Name]
91878-39-6 [RN]
Vertinolide
VERTINOLIDE, (+)-
VERTINOLIDE, (±)-
4-Hydroxy-3,5-dimethyl-5-[(4E,6E)-3-oxoocta-4,6-dien-1-yl]furan-2(5H)-one

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

N5A2U3Y245 [DBID]
UNII:N5A2U3Y245 [DBID]
2QW6PG1156 [DBID]
5232LP7AQT [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 435.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 162.8±22.2 °C
Index of Refraction: 1.525
Molar Refractivity: 68.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.32
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 221.9±3.0 cm3

Click to predict properties on the Chemicalize site


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