17-Octadecynoic acid

C18H32O2CAS 34450-18-5280.45 g/mol

Open in Covalent MOL file
OOH
AlkyneCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
15

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

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

10-Undecynoic acid2777-65-3100 % similar 6-Heptynoic acid30964-00-296 % similar 5-Hexynoic acid53293-00-884 % similar 4-Pentynoic acid6089-09-469 % similar Pimelic acid111-16-063 % similar Sebacic acid111-20-663 % similar Azelaic acid123-99-963 % similar Pentadecanedioic acid1460-18-063 % 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 Linolelaidic acid8024-22-4

Elsewhere

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