chempirical

2-(2-Propyn-1-yloxy)ethanol

C5H8O2CAS 3973-18-0100.12 g/mol

Open in Covalent MOL file
OOH
AlcoholAlkyneEther

Properties

Molecular formula
C5H8O2
Molar mass
100.12 g/mol
Exact mass
100.0524 Da
Density
1.0251 g/mL (at 20 °C)
Boiling point
80–90 °C (at NaN Torr)
logP
-0.37Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
3973-18-0
SMILES
C#CCOCCO
InChIKey
GHGCQQRMJCSIBQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • Ethanol, 2-(2-propyn-1-yloxy)-
  • Ethanol, 2-(2-propynyloxy)-
  • Ethylene glycol monopropargyl ether
  • 4-Oxa-1-hexyn-6-ol
  • 2-(2-Propynyloxy)ethanol
  • 2-Propynoxyethanol
  • 2-(Propargyloxy)ethanol
  • 3-(2-Hydroxyethoxy)-1-propyne
  • 2-(Prop-2-yn-1-yloxy)ethan-1-ol
  • 2-Prop-2-ynoxyethanol
  • Ethanol, 2-(ethynyloxy)-

Work with 2-(2-Propyn-1-yloxy)ethanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-559 % similar Diethylene glycol111-46-650 % similar 2-[2-(2-Propyn-1-yloxy)ethoxy]ethanamine944561-44-848 % similar Triethylene glycol112-27-648 % similar Tetraethylene glycol112-60-748 % similar Hexaethylene glycol2615-15-848 % similar 3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diol3386-18-348 % similar Pentaethylene glycol4792-15-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Gamma-valerolactone108-29-2 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 Methyl cyclopropanecarboxylate2868-37-3

Elsewhere

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