Found 40 results

Search term: MF = 'C_{12}H_{18}O_{5}S_{2}'
ChemSpider 2D Image | Diisopropyl [(4R)-4-hydroxy-1,3-dithiolan-2-ylidene]malonate | C12H18O5S2

Diisopropyl [(4R)-4-hydroxy-1,3-dithiolan-2-ylidene]malonate

  • Molecular FormulaC12H18O5S2
  • Average mass306.398 Da
  • Monoisotopic mass306.059570 Da
  • ChemSpider ID62612504

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(4R)-4-Hydroxy-1,3-dithiolan-2-ylidène]malonate de diisopropyle [French] [ACD/IUPAC Name]
Diisopropyl [(4R)-4-hydroxy-1,3-dithiolan-2-ylidene]malonate [ACD/IUPAC Name]
Diisopropyl-[(4R)-4-hydroxy-1,3-dithiolan-2-yliden]malonat [German] [ACD/IUPAC Name]
Propanedioic acid, 2-[(4R)-4-hydroxy-1,3-dithiolan-2-ylidene]-, bis(1-methylethyl) ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 396.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 193.7±27.9 °C
Index of Refraction: 1.570
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.88
ACD/KOC (pH 5.5): 603.92
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.88
ACD/KOC (pH 7.4): 603.91
Polar Surface Area: 123 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 233.3±3.0 cm3

Click to predict properties on the Chemicalize site


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