17-Octadecynoic acid

C₁₈H₃₂O₂CAS 34450-18-5280.45 g/mol

Open in Covalent MOL file

Alkyne Carboxylic acid

Properties

Molecular formula: C₁₈H₃₂O₂
Molar mass: 280.45 g/mol
Exact mass: 280.2402 Da
logP: 5.56Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 15

Identifiers

CAS number

34450-18-5

SMILES

C#CCCCCCCCCCCCCCCCC(=O)O

InChIKey

DZIILFGADWDKMF-UHFFFAOYSA-N

InChI

InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20)

Weigh it out

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

Work with 17-Octadecynoic 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

5-Hexynoic acid53293-00-884 % similar 4-Pentynoic acid6089-09-469 % similar Pimelic acid111-16-063 % similar Sebacic acid111-20-663 % similar Pentadecanedioic acid1460-18-063 % similar Heptadecanedioic acid2424-90-063 % similar Eicosanedioic acid2424-92-263 % similar Suberic acid505-48-663 % similar

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

Same formula

trans-10-cis-12-Octadecadienoic acid2420-56-6 Stearolic acid506-24-1 Linoleic acid60-33-3 (Trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-33-1

Elsewhere

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