Found 5 results

Search term: XBWHOMGWRUJNPO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R)-2-(Methoxycarbonyl)-3,3-dimethylbutanoic acid | C8H14O4

(2R)-2-(Methoxycarbonyl)-3,3-dimethylbutanoic acid

  • Molecular FormulaC8H14O4
  • Average mass174.194 Da
  • Monoisotopic mass174.089203 Da
  • ChemSpider ID75146863

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(Methoxycarbonyl)-3,3-dimethylbutanoic acid [ACD/IUPAC Name]
(2R)-2-(Methoxycarbonyl)-3,3-dimethylbutansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-(méthoxycarbonyl)-3,3-diméthylbutanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-(1,1-dimethylethyl)-, monomethyl ester, (2R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 260.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.8±6.0 kJ/mol
Flash Point: 98.1±16.1 °C
Index of Refraction: 1.445
Molar Refractivity: 42.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 159.1±3.0 cm3

Click to predict properties on the Chemicalize site


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