Found 1 result

Search term: 30770803 (Found by CSID)
ChemSpider 2D Image | (4R,5S)-4-(Hydroxymethyl)-3-methoxy-5-methyl-2-cyclopenten-1-one | C8H12O3

(4R,5S)-4-(Hydroxymethyl)-3-methoxy-5-methyl-2-cyclopenten-1-one

  • Molecular FormulaC8H12O3
  • Average mass156.179 Da
  • Monoisotopic mass156.078644 Da
  • ChemSpider ID30770803

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,5S)-4-(Hydroxymethyl)-3-methoxy-5-methyl-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
(4R,5S)-4-(Hydroxymethyl)-3-methoxy-5-methyl-2-cyclopenten-1-one [ACD/IUPAC Name]
(4R,5S)-4-(Hydroxyméthyl)-3-méthoxy-5-méthyl-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 4-(hydroxymethyl)-3-methoxy-5-methyl-, (4R,5S)- [ACD/Index Name]
1628418-67-6 [RN]
4-(Hydroxymethyl)-3-methoxy-5-methylcyclopent-2-enone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 304.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 63.2±6.0 kJ/mol
Flash Point: 125.4±20.0 °C
Index of Refraction: 1.494
Molar Refractivity: 40.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 39.97
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 39.97
Polar Surface Area: 47 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 137.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement