ChemSpider 2D Image | Methyl (1R,2R,3R,4R)-2,3,4-trimethylcyclobutanecarboxylate | C9H16O2

Methyl (1R,2R,3R,4R)-2,3,4-trimethylcyclobutanecarboxylate

  • Molecular FormulaC9H16O2
  • Average mass156.222 Da
  • Monoisotopic mass156.115036 Da
  • ChemSpider ID21502684

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,3R,4R)-2,3,4-Triméthylcyclobutanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 2,3,4-trimethyl-, methyl ester, (1α,2α,3β,4β)- [ACD/Index Name]
Methyl (1R,2R,3R,4R)-2,3,4-trimethylcyclobutanecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,3R,4R)-2,3,4-trimethylcyclobutancarboxylat [German] [ACD/IUPAC Name]
1932089-66-1 [RN]
methyl (2R,4R)-2,3,4-trimethylcyclobutane-1-carboxylate
METHYL(2R,4R)-2,3,4-TRIMETHYLCYCLOBUTANE-1-CARBOXYLATE

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

Density: 0.9±0.1 g/cm3
Boiling Point: 180.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.6±3.0 kJ/mol
Flash Point: 60.3±6.0 °C
Index of Refraction: 1.430
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 76.57
ACD/KOC (pH 5.5): 776.63
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 76.57
ACD/KOC (pH 7.4): 776.63
Polar Surface Area: 26 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 25.4±3.0 dyne/cm
Molar Volume: 168.6±3.0 cm3

Click to predict properties on the Chemicalize site


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