ChemSpider 2D Image | [(3S)-3-Acetyl-2,2-dimethylcyclobutyl]acetic acid | C10H16O3

[(3S)-3-Acetyl-2,2-dimethylcyclobutyl]acetic acid

  • Molecular FormulaC10H16O3
  • Average mass184.232 Da
  • Monoisotopic mass184.109940 Da
  • ChemSpider ID61485587

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(3S)-3-Acetyl-2,2-dimethylcyclobutyl]acetic acid [ACD/IUPAC Name]
[(3S)-3-Acetyl-2,2-dimethylcyclobutyl]essigsäure [German] [ACD/IUPAC Name]
Acide [(3S)-3-acétyl-2,2-diméthylcyclobutyl]acétique [French] [ACD/IUPAC Name]
Cyclobutaneacetic acid, 3-acetyl-2,2-dimethyl-, (3S)- [ACD/Index Name]
1933796-44-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 305.2±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 60.0±6.0 kJ/mol
Flash Point: 152.6±16.9 °C
Index of Refraction: 1.466
Molar Refractivity: 47.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.14
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 172.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement