ChemSpider 2D Image | 6-[(5E)-2,9-Dihydroxy-5,7-dimethyl-5-nonen-1-yl]-4-hydroxy-3-methyl-2H-pyran-2-one | C17H26O5

6-[(5E)-2,9-Dihydroxy-5,7-dimethyl-5-nonen-1-yl]-4-hydroxy-3-methyl-2H-pyran-2-one

  • Molecular FormulaC17H26O5
  • Average mass310.385 Da
  • Monoisotopic mass310.178009 Da
  • ChemSpider ID29814920

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-one, 6-[(5E)-2,9-dihydroxy-5,7-dimethyl-5-nonen-1-yl]-4-hydroxy-3-methyl- [ACD/Index Name]
6-[(5E)-2,9-Dihydroxy-5,7-dimethyl-5-nonen-1-yl]-4-hydroxy-3-methyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
6-[(5E)-2,9-Dihydroxy-5,7-dimethyl-5-nonen-1-yl]-4-hydroxy-3-methyl-2H-pyran-2-one [ACD/IUPAC Name]
6-[(5E)-2,9-Dihydroxy-5,7-diméthyl-5-nonén-1-yl]-4-hydroxy-3-méthyl-2H-pyran-2-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 518.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 185.2±23.6 °C
Index of Refraction: 1.544
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 7.17
ACD/KOC (pH 5.5): 114.10
ACD/LogD (pH 7.4): -0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.69
Polar Surface Area: 87 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 266.9±3.0 cm3

Click to predict properties on the Chemicalize site


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