chempirical

2,5-Dimethyl-3-hexyne-2,5-diol

C8H14O2CAS 142-30-3142.20 g/mol

Open in Covalent MOL file
HOOH
AlcoholAlkyne

Properties

Molecular formula
C8H14O2
Molar mass
142.20 g/mol
Exact mass
142.0994 Da
Density
0.949 g/mL (at 20 °C)
Melting point
95 °C
Boiling point
205 °C (at 759 Torr)
logP
0.53Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
142-30-3
SMILES
CC(C)(O)C#CC(C)(C)O
InChIKey
IHJUECRFYCQBMW-UHFFFAOYSA-N
InChI
InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3

Weigh it out

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

Names and synonyms

11 names
  • 3-Hexyne-2,5-diol, 2,5-dimethyl-
  • D 43
  • Kemitracin 50
  • 2,5-Dihydroxy-2,5-dimethyl-3-hexyne
  • 2,5-Dimethyl-2,5-dihydroxy-3-hexyne
  • 2,5-Dimethyl-3-hexyn-2,5-diol
  • Tetramethyl-2-butynediol
  • Tetramethyl-2-butyne-1,4-diol
  • Olfine Y
  • NSC 117261
  • NSC 8340

Work with 2,5-Dimethyl-3-hexyne-2,5-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

2,7-Dimethyl-3,5-octadiyne-2,7-diol5929-72-673 % similar 2-Methylbut-3-yn-2-ol115-19-550 % similar Acetone cyanohydrin75-86-550 % similar 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol69088-96-635 % similar 3,6-Dimethyl-4-octyne-3,6-diol78-66-032 % similar tert-Butyl alcohol75-65-031 % similar Pinacol76-09-531 % similar

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

Same formula

γ-Octalactone104-50-7 1-Methylcyclohexanecarboxylic acid1123-25-7 trans-4-Methylcyclohexanecarboxylic acid13064-83-0 Cypionic acid140-77-2 Cycloheptanecarboxylic acid1460-16-8 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-4 3-Hexenyl acetate1708-82-3 trans-2-Octenoic acid1871-67-6

Elsewhere

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