ChemSpider 2D Image | (2S)-2-[(2S)-2-Hydroxytridecyl]-6-methyl-2,3-dihydro-4H-pyran-4-one | C19H34O3

(2S)-2-[(2S)-2-Hydroxytridecyl]-6-methyl-2,3-dihydro-4H-pyran-4-one

  • Molecular FormulaC19H34O3
  • Average mass310.471 Da
  • Monoisotopic mass310.250793 Da
  • ChemSpider ID35517171

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(2S)-2-Hydroxytridecyl]-6-methyl-2,3-dihydro-4H-pyran-4-on [German] [ACD/IUPAC Name]
(2S)-2-[(2S)-2-Hydroxytridecyl]-6-methyl-2,3-dihydro-4H-pyran-4-one [ACD/IUPAC Name]
(2S)-2-[(2S)-2-Hydroxytridécyl]-6-méthyl-2,3-dihydro-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 2,3-dihydro-2-[(2S)-2-hydroxytridecyl]-6-methyl-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 421.4±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±6.0 kJ/mol
Flash Point: 138.2±13.6 °C
Index of Refraction: 1.476
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14978.41
ACD/KOC (pH 5.5): 33914.54
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14978.41
ACD/KOC (pH 7.4): 33914.54
Polar Surface Area: 47 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 322.3±3.0 cm3

Click to predict properties on the Chemicalize site


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