Found 206 results

Search term: MF = 'C_{14}H_{24}O_{4}S'
ChemSpider 2D Image | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-hydroxy-1,3-oxathiolane-2-carboxylate | C14H24O4S

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-hydroxy-1,3-oxathiolane-2-carboxylate

  • Molecular FormulaC14H24O4S
  • Average mass288.403 Da
  • Monoisotopic mass288.139526 Da
  • ChemSpider ID28426361

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R,5S)-5-hydroxy-1,3-oxathiolane-2-carboxylate [ACD/IUPAC Name]
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl-(2R,5S)-5-hydroxy-1,3-oxathiolan-2-carboxylat [German] [ACD/IUPAC Name]
(2R,5S)-5-Hydroxy-1,3-oxathiolane-2-carboxylate de (1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
1,3-Oxathiolane-2-carboxylic acid, 5-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (2R,5S)- [ACD/Index Name]
(1R,2S,5R)-Methyl-5R-hydroxy-[1,3]-oxathiolane-2R-carboxylate
(2R,5R)-5-Hydroxy-[1,3]-oxathiolane-2-carboxylic acid menthyl ester (HME)
(2R,5R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
(2R,5S)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate
147027-08-5 [RN]
147126-62-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 402.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 197.1±28.7 °C
Index of Refraction: 1.527
Molar Refractivity: 75.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.36
ACD/KOC (pH 5.5): 1300.61
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.35
ACD/KOC (pH 7.4): 1300.56
Polar Surface Area: 81 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 246.7±5.0 cm3

Click to predict properties on the Chemicalize site


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