ChemSpider 2D Image | 6-(1-Hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-one | C8H10O5

6-(1-Hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-one

  • Molecular FormulaC8H10O5
  • Average mass186.162 Da
  • Monoisotopic mass186.052826 Da
  • ChemSpider ID28534154

More details:

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

157207-53-9 [RN]
2,7-Dioxabicyclo[4.1.0]hept-3-en-5-one, 6-(1-hydroxyethyl)-3-(hydroxymethyl)- [ACD/Index Name]
6-(1-Hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-on [German] [ACD/IUPAC Name]
6-(1-Hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-one [ACD/IUPAC Name]
6-(1-Hydroxyéthyl)-3-(hydroxyméthyl)-2,7-dioxabicyclo[4.1.0]hept-3-én-5-one [French] [ACD/IUPAC Name]
5,6-Epoxy-5,6-dihydro-5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one
6-(1-Hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-one, 9CI
6-(1-Hydroxyethyl)-3-hydroxymethyl-2,7-dioxa-bicyclo[4.1.0]hept-3-en-5-one
Erinapyrone C

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

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

Density: 1.5±0.1 g/cm3
Boiling Point: 380.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.7±6.0 kJ/mol
Flash Point: 160.5±21.4 °C
Index of Refraction: 1.589
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.45
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.45
Polar Surface Area: 79 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 66.7±3.0 dyne/cm
Molar Volume: 121.5±3.0 cm3

Click to predict properties on the Chemicalize site


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