3-(2-Propyn-1-yloxy)-1,2-propanediol

C6H10O3CAS 13580-38-6130.14 g/mol

Open in Covalent MOL file
OOHOH
AlcoholAlkyneEther

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
Density
1.1341 g/mL (at 20 °C)
Boiling point
30 °C (at 1 Torr)
logP
-1.01Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
13580-38-6
SMILES
C#CCOCC(O)CO
InChIKey
WZGADLPIFFITSG-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-2-3-9-5-6(8)4-7/h1,6-8H,3-5H2

Weigh it out

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

Names and synonyms

8 names
  • 1,2-Propanediol, 3-(2-propyn-1-yloxy)-
  • 1,2-Propanediol, 3-(2-propynyloxy)-
  • Monopropargylylglycerol ether
  • 3-(2-Propynyloxy)-1,2-propanediol
  • NSC 215123
  • 3-Propargyloxy-1,2-propanediol
  • 3-Prop-2-ynoxypropane-1,2-diol
  • 3-(Prop-2-yn-1-yloxy)propane-1,2-diol

Work with 3-(2-Propyn-1-yloxy)-1,2-propanediol

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

Diglycerin59113-36-960 % similar Diglycerin627-82-760 % similar Polyglycerin-356090-54-158 % similar Decaglycerin9041-07-058 % similar Acid phosphatase9001-77-852 % similar Glycidyl propargyl ether18180-30-847 % similar Glyceryl allyl ether123-34-245 % similar 3-Methoxy-1,2-propanediol36887-04-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl 4-hydroxycrotonate10080-68-9 Ethyl 2-[(2S)-oxiran-2-yl]acetate112083-63-3 Propionic anhydride123-62-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0 (R)-2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde15186-48-8

Elsewhere

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