ChemSpider 2D Image | (3S,4S)-3-Decyl-4-(2-{[3-(dimethylamino)propyl]sulfanyl}ethyl)-2-oxetanone (non-preferred name) | C20H39NO2S

(3S,4S)-3-Decyl-4-(2-{[3-(dimethylamino)propyl]sulfanyl}ethyl)-2-oxetanone (non-preferred name)

  • Molecular FormulaC20H39NO2S
  • Average mass357.594 Da
  • Monoisotopic mass357.270142 Da
  • ChemSpider ID58991121

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-3-Decyl-4-(2-{[3-(dimethylamino)propyl]sulfanyl}ethyl)-2-oxetanon (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4S)-3-Decyl-4-(2-{[3-(dimethylamino)propyl]sulfanyl}ethyl)-2-oxetanone (non-preferred name) [ACD/IUPAC Name]
(3S,4S)-3-Décyl-4-(2-{[3-(diméthylamino)propyl]sulfanyl}éthyl)-2-oxêtanone (non-preferred name) [French] [ACD/IUPAC 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: 462.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 233.8±21.8 °C
Index of Refraction: 1.486
Molar Refractivity: 106.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 24.22
ACD/KOC (pH 5.5): 46.53
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 257.68
ACD/KOC (pH 7.4): 494.99
Polar Surface Area: 55 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 369.5±3.0 cm3

Click to predict properties on the Chemicalize site


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