chempirical

Octadecanedioic acid

C18H34O4CAS 871-70-5314.47 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C18H34O4
Molar mass
314.47 g/mol
Exact mass
314.2457 Da
Melting point
118 °C
logP
5.40Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
17

Identifiers

CAS number
871-70-5
SMILES
O=C(O)CCCCCCCCCCCCCCCCC(=O)O
InChIKey
BNJOQKFENDDGSC-UHFFFAOYSA-N
InChI
InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)

Weigh it out

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

Names and synonyms

5 names
  • 1,16-Hexadecanedicarboxylic acid
  • 1,18-Octadecanedioic acid
  • 1,16-Dicarboxyhexadecane
  • Emerox 118
  • Inherent C 18

Work with Octadecanedioic 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 sebacate109-43-3 3,5,5-Trimethylhexanoyl peroxide3851-87-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook