chempirical

2,4-Hexadiyne-1,6-diol

C6H6O2CAS 3031-68-3110.11 g/mol

Open in Covalent MOL file
HOOH
AlcoholAlkyne

Properties

Molecular formula
C6H6O2
Molar mass
110.11 g/mol
Exact mass
110.0368 Da
Melting point
112 °C
logP
-1.02Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
3031-68-3
SMILES
OCC#CC#CCO
InChIKey
JXMQYKBAZRDVTC-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2

Weigh it out

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

Names and synonyms

6 names
  • 2,4-Hexadiynediol
  • Diacetylene glycol
  • 1,6-Dihydroxy-2,4-hexadiyne
  • NSC 11686
  • Carbow 2257
  • Carbon rainbow 2257

Work with 2,4-Hexadiyne-1,6-diol

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-Butynediol110-65-667 % similar 2-Butyn-1-ol764-01-247 % similar 2-Pentyn-1-ol6261-22-944 % similar 3-(Trimethylsilyl)-2-propyn-1-ol5272-36-640 % similar 2-Hexyn-1-ol764-60-340 % similar 2-Heptyn-1-ol1002-36-436 % similar Glycolonitrile107-16-435 % similar Propargyl alcohol107-19-735 % similar

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

Same formula

Propargyl acrylate10477-47-1 Resorcinol108-46-3 2-Acetylfuran1192-62-7 Catechol120-80-9 Hydroquinone123-31-9 5-Methylfurfural620-02-0

Elsewhere

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