chempirical

Dodecanedioic acid

C12H22O4CAS 693-23-2230.30 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C12H22O4
Molar mass
230.30 g/mol
Exact mass
230.1518 Da
Melting point
130–132 °C
Boiling point
205–210 °C (at 1 Torr)
logP
3.06Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
11

Identifiers

CAS number
693-23-2
SMILES
O=C(O)CCCCCCCCCCC(=O)O
InChIKey
TVIDDXQYHWJXFK-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)

Weigh it out

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

Names and synonyms

10 names
  • 1,10-Decanedicarboxylic acid
  • 1,12-Dodecanedioic acid
  • Decamethylenedicarboxylic acid
  • 1,10-Dicarboxydecane
  • n-Dodecanedioic acid
  • SL-AH
  • Corfree M 2
  • n-Dodecane-α,ω-dioic acid
  • NSC 400242
  • LCA 141

Work with Dodecanedioic 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

Dipropyl adipate106-19-4 Dimethyl sebacate106-79-6 (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-3 1,3-Diethyl 2-(1-methylbutyl)propanedioate117-47-5 Dibutyl succinate141-03-7 1,6-Hexanediol diglycidyl ether16096-31-4 Diethyl suberate2050-23-9 Diethyl isoamylmalonate5398-08-3

Elsewhere

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