ChemSpider 2D Image | (2R,3R)-4-Methylene-5-oxo-2-undecyltetrahydro-3-thiophenecarboxylic acid | C17H28O3S

(2R,3R)-4-Methylene-5-oxo-2-undecyltetrahydro-3-thiophenecarboxylic acid

  • Molecular FormulaC17H28O3S
  • Average mass312.467 Da
  • Monoisotopic mass312.175903 Da
  • ChemSpider ID24697028

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-4-Methylen-5-oxo-2-undecyltetrahydro-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
(2R,3R)-4-Methylene-5-oxo-2-undecyltetrahydro-3-thiophenecarboxylic acid [ACD/IUPAC Name]
3-Thiophenecarboxylic acid, tetrahydro-4-methylene-5-oxo-2-undecyl-, (2R,3R)- [ACD/Index Name]
Acide (2R,3R)-4-méthylène-5-oxo-2-undécyltétrahydro-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL477462/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 466.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 235.9±28.7 °C
Index of Refraction: 1.515
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 69.08
ACD/KOC (pH 5.5): 150.79
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 3.87
ACD/KOC (pH 7.4): 8.44
Polar Surface Area: 80 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 291.6±5.0 cm3

Click to predict properties on the Chemicalize site


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