5-Hexynoic acid

C₆H₈O₂CAS 53293-00-8112.13 g/mol

Open in Covalent MOL file

Alkyne Carboxylic acid

Properties

Molecular formula: C₆H₈O₂
Molar mass: 112.13 g/mol
Exact mass: 112.0524 Da
Density: 1.0372 g/mL (at 20 °C)
Boiling point: 135 °C (at 14 Torr)
logP: 0.87Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

53293-00-8

SMILES

C#CCCCC(=O)O

InChIKey

VPFMEXRVUOPYRG-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)

Weigh it out

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

Names and synonyms

3 names

5-Hexyn-1-oic acid
4-Ethynylbutyric acid
EC2-103

Work with 5-Hexynoic acid

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

17-Octadecynoic acid34450-18-584 % similar 4-Pentynoic acid6089-09-475 % similar Glutaric acid110-94-157 % similar Pimelic acid111-16-054 % similar Sebacic acid111-20-654 % similar Pentadecanedioic acid1460-18-054 % similar Heptadecanedioic acid2424-90-054 % similar Eicosanedioic acid2424-92-254 % similar

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

Same formula

3,4-Dihydro-2H-pyran-2-carboxaldehyde100-73-2 Sorbic acid110-44-1 2,5-Dimethyl-3(2H)furanone14400-67-0 Vinyl crotonate14861-06-4 1-Acetoxy-1,3-butadiene1515-76-0 1-Cyclopentene-1-carboxylic acid1560-11-8 3-Methylenecyclobutanecarboxylic acid15760-36-8 5-Methyl-2-furanmethanol3857-25-8

Elsewhere

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