ChemSpider 2D Image | 6-Heptyl-3-hexyl-4-hydroxy-5,6-dihydro-2H-pyran-2-one | C18H32O3

6-Heptyl-3-hexyl-4-hydroxy-5,6-dihydro-2H-pyran-2-one

  • Molecular FormulaC18H32O3
  • Average mass296.445 Da
  • Monoisotopic mass296.235138 Da
  • ChemSpider ID24691777

More details:

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

2H-Pyran-2-one, 6-heptyl-3-hexyl-5,6-dihydro-4-hydroxy- [ACD/Index Name]
6-Heptyl-3-hexyl-4-hydroxy-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-Heptyl-3-hexyl-4-hydroxy-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
6-Heptyl-3-hexyl-4-hydroxy-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463476/
pseudopyronine B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 429.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±6.0 kJ/mol
Flash Point: 168.8±21.5 °C
Index of Refraction: 1.480
Molar Refractivity: 86.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 3276.75
ACD/KOC (pH 5.5): 5785.80
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 56.53
ACD/KOC (pH 7.4): 99.81
Polar Surface Area: 47 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 304.0±3.0 cm3

Click to predict properties on the Chemicalize site


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