5,8,11-Eicosatriynoic acid

C20H28O2CAS 13488-22-7300.44 g/mol

Open in Covalent MOL file
OOH
AlkyneCarboxylic acid

Properties

Molecular formula
C20H28O2
Molar mass
300.44 g/mol
Exact mass
300.2089 Da
Melting point
70.5–71.5 °C
logP
4.78Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
13488-22-7
SMILES
CCCCCCCCC#CCC#CCC#CCCCC(=O)O
InChIKey
OWYNLPMPYBYKJP-UHFFFAOYSA-N
InChI
InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-8,11,14,17-19H2,1H3,(H,21,22)

Weigh it out

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

Names and synonyms

1 names
  • ETI

Work with 5,8,11-Eicosatriynoic 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

Stearolic acid506-24-184 % similar 10,12-Tricosadiynoic acid66990-30-574 % similar 10,12-Pentacosadiynoic acid66990-32-774 % similar Pentadecylic acid1002-84-265 % similar Enanthic acid111-14-865 % similar Pelargonic acid112-05-065 % similar Undecylic acid112-37-865 % similar Behenic acid112-85-665 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

17Beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one1039-17-4 Dehydroabietic acid1740-19-8 13-Ethyl-3-methoxygona-2,5(10)-dien-17-one2322-77-2 Retinoic acid302-79-4 Isotretinoin4759-48-2 9-cis-Retinoic acid5300-03-8 Methandrostenolone72-63-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook