chempirical

Tetradecanedioic acid

C14H26O4CAS 821-38-5258.36 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C14H26O4
Molar mass
258.36 g/mol
Exact mass
258.1831 Da
Melting point
127 °C
logP
3.84Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
13

Identifiers

CAS number
821-38-5
SMILES
O=C(O)CCCCCCCCCCCCC(=O)O
InChIKey
HQHCYKULIHKCEB-UHFFFAOYSA-N
InChI
InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)

Weigh it out

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

Names and synonyms

6 names
  • 1,12-Dodecanedicarboxylic acid
  • 1,14-Tetradecanedioic acid
  • DCA 14
  • NSC 9504
  • 1,12-Dicarboxydodecane
  • Emerox 114

Work with Tetradecanedioic 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 Pentadecanedioic acid1460-18-0100 % similar Heptadecanedioic acid2424-90-0100 % similar Eicosanedioic acid2424-92-2100 % similar Suberic acid505-48-6100 % similar Brassylic acid505-52-2100 % similar Thapsic acid505-54-4100 % similar

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

Same formula

Dibutyl adipate105-99-7 Diethyl sebacate110-40-7 Diisobutyl adipate141-04-8 1,12-Dimethyl dodecanedioate1731-79-9 1,3-Diethyl 2-ethyl-2-(1-methylbutyl)propanedioate76-72-2 Diethyl ethylisoamylmalonate77-24-7

Elsewhere

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