ChemSpider 2D Image | Methyl [(4S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-yloxy]acetate | C9H12O5

Methyl [(4S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-yloxy]acetate

  • Molecular FormulaC9H12O5
  • Average mass200.189 Da
  • Monoisotopic mass200.068466 Da
  • ChemSpider ID21781569

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

[(4S,5R)-6,8-Dioxabicyclo[3.2.1]oct-2-én-4-yloxy]acétate de méthyle [French] [ACD/IUPAC Name]
Methyl [(4S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-yloxy]acetate [ACD/IUPAC Name]
Methyl [(4S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-yloxy]acetate (non-preferred name)
Methyl-[(4S,5R)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-yloxy]acetat [German] [ACD/IUPAC Name]
(6,8-Dioxa-bicyclo[3.2.1]oct-2-en-4-yloxy)-acetic acid methyl ester
4-(Methoxycarbonylmethoxy)-6,8-dioxabicyclo[3.2.1]oct-en
methyl 2-((1R,2R)-7,8-dioxabicyclo[3.2.1]oct-3-en-2-yloxy)acetate
VitasMLab

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

Density: 1.3±0.1 g/cm3
Boiling Point: 319.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 141.8±27.9 °C
Index of Refraction: 1.503
Molar Refractivity: 46.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.14
ACD/KOC (pH 5.5): 38.21
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 38.21
Polar Surface Area: 54 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 157.5±5.0 cm3

Click to predict properties on the Chemicalize site


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