ChemSpider 2D Image | (3S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone | C22H42O3

(3S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone

  • Molecular FormulaC22H42O3
  • Average mass354.567 Da
  • Monoisotopic mass354.313385 Da
  • ChemSpider ID74106400

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanon [German] [ACD/IUPAC Name]
(3S)-3-Hexyl-4-[(2R)-2-hydroxytridecyl]-2-oxetanone [ACD/IUPAC Name]
(3S)-3-Hexyl-4-[(2R)-2-hydroxytridécyl]-2-oxêtanone [French] [ACD/IUPAC Name]
2-Oxetanone, 3-hexyl-4-[(2R)-2-hydroxytridecyl]-, (3S)- [ACD/Index Name]
6311-68-8 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 467.9±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 176.2±14.0 °C
Index of Refraction: 1.467
Molar Refractivity: 105.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 277980.03
ACD/KOC (pH 5.5): 274409.59
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 277980.03
ACD/KOC (pH 7.4): 274409.59
Polar Surface Area: 47 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 379.1±3.0 cm3

Click to predict properties on the Chemicalize site


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