chempirical

Docosanedioic acid

C22H42O4CAS 505-56-6370.57 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C22H42O4
Molar mass
370.57 g/mol
Exact mass
370.3083 Da
Melting point
120–122 °C
Boiling point
176–177 °C (at 3 Torr)
logP
6.96Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
21

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
505-56-6
SMILES
O=C(O)CCCCCCCCCCCCCCCCCCCCC(=O)O
InChIKey
DGXRZJSPDXZJFG-UHFFFAOYSA-N
InChI
InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)

Weigh it out

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

Names and synonyms

6 names
  • 1,20-Eicosanedicarboxylic acid
  • Phellogenic acid
  • Felogenic acid
  • 1,22-Docosanedioic acid
  • NSC 56159
  • Docosan-1,22-dioic acid

Reactions

Work with Docosanedioic 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

Pimelic acid111-16-0100 % similar Sebacic acid111-20-6100 % similar Azelaic acid123-99-9100 % similar Pentadecanedioic acid1460-18-0100 % similar Undecanedioic acid1852-04-6100 % similar Heptadecanedioic acid2424-90-0100 % similar Eicosanedioic acid2424-92-2100 % similar Suberic acid505-48-6100 % similar

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

Same formula

Bis(2-ethylhexyl) adipate103-23-1 Dioctyl adipate123-79-5 18-(tert-Butoxy)-18-oxooctadecanoic acid843666-40-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia