ChemSpider 2D Image | (2S,5R)-2-Isopropyl-2,5-dimethyl-1,3-oxathiane | C9H18OS

(2S,5R)-2-Isopropyl-2,5-dimethyl-1,3-oxathiane

  • Molecular FormulaC9H18OS
  • Average mass174.304 Da
  • Monoisotopic mass174.107834 Da
  • ChemSpider ID24211621

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5R)-2-Isopropyl-2,5-dimethyl-1,3-oxathian [German] [ACD/IUPAC Name]
(2S,5R)-2-Isopropyl-2,5-dimethyl-1,3-oxathiane [ACD/IUPAC Name]
(2S,5R)-2-Isopropyl-2,5-diméthyl-1,3-oxathiane [French] [ACD/IUPAC Name]
1,3-Oxathiane, 2,5-dimethyl-2-(1-methylethyl)-, (2S,5R)- [ACD/Index Name]
1,3-Oxathiane, 2,5-dimethyl-2-(1-methylethyl)-, cis- (9CI)
1,3-Oxathiane,2,5-dimethyl-2-(1-methylethyl)-,cis-(9CI)
147354-45-8 [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: 226.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 90.6±25.4 °C
Index of Refraction: 1.460
Molar Refractivity: 51.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.82
ACD/KOC (pH 5.5): 821.52
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.82
ACD/KOC (pH 7.4): 821.52
Polar Surface Area: 35 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 26.6±3.0 dyne/cm
Molar Volume: 187.5±3.0 cm3

Click to predict properties on the Chemicalize site


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