chempirical

Stearolic acid

C18H32O2CAS 506-24-1280.45 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
13

Identifiers

CAS number
506-24-1
SMILES
CCCCCCCCC#CCCCCCCCC(=O)O
InChIKey
RGTIBVZDHOMOKC-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/h2-8,11-17H2,1H3,(H,19,20)

Weigh it out

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

Names and synonyms

8 names
  • Octadec-9-ynoic acid
  • 9-Octadecynoic acid
  • 9-Stearolic acid
  • Delta(9)-octadecynoic acid
  • Stearolicacid
  • Octadec-9-insaeure
  • Stearolsaeure
  • Octadeca-9-ynoic acid

Work with Stearolic 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

10,12-Pentacosadiynoic acid66990-32-787 % similar 5,8,11-Eicosatriynoic acid13488-22-784 % similar Pentadecylic acid1002-84-278 % similar Enanthic acid111-14-878 % similar Pelargonic acid112-05-078 % similar Undecylic acid112-37-878 % similar Behenic acid112-85-678 % similar Caprylic acid124-07-278 % similar

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

Same formula

trans-10-cis-12-Octadecadienoic acid2420-56-6 17-Octadecynoic acid34450-18-5 Linoleic acid60-33-3 (Trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-33-1

Elsewhere

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