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Search term: 61616414 (Found by CSID)
ChemSpider 2D Image | (2S,3R)-2-(Hydroxymethyl)-3-methylcyclopentanone | C7H12O2

(2S,3R)-2-(Hydroxymethyl)-3-methylcyclopentanone

  • Molecular FormulaC7H12O2
  • Average mass128.169 Da
  • Monoisotopic mass128.083725 Da
  • ChemSpider ID61616414

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-(Hydroxymethyl)-3-methylcyclopentanon [German] [ACD/IUPAC Name]
(2S,3R)-2-(Hydroxymethyl)-3-methylcyclopentanone [ACD/IUPAC Name]
(2S,3R)-2-(Hydroxyméthyl)-3-méthylcyclopentanone [French] [ACD/IUPAC Name]
Cyclopentanone, 2-(hydroxymethyl)-3-methyl-, (2S,3R)- [ACD/Index Name]
909796-75-4 [RN]
Cis-2-Hydroxymethyl-3-methylcyclopentano

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

Density: 1.0±0.1 g/cm3
Boiling Point: 225.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 53.8±6.0 kJ/mol
Flash Point: 91.2±12.4 °C
Index of Refraction: 1.464
Molar Refractivity: 34.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.35
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.98
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.98
Polar Surface Area: 37 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 34.0±3.0 dyne/cm
Molar Volume: 123.8±3.0 cm3

Click to predict properties on the Chemicalize site


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