chempirical

2-Hexadecylpropanedioic acid

C19H36O4CAS 4371-64-6328.49 g/mol

Open in Covalent MOL file
OOHOOH
Carboxylic acid

Properties

Molecular formula
C19H36O4
Molar mass
328.49 g/mol
Exact mass
328.2614 Da
Melting point
119 °C
logP
5.64Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
17

Identifiers

CAS number
4371-64-6
SMILES
CCCCCCCCCCCCCCCCC(C(=O)O)C(=O)O
InChIKey
MVDKKZZVTWHVMC-UHFFFAOYSA-N
InChI
InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(20)21)19(22)23/h17H,2-16H2,1H3,(H,20,21)(H,22,23)

Weigh it out

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

Names and synonyms

8 names
  • Propanedioic acid, 2-hexadecyl-
  • Malonic acid, hexadecyl-
  • Propanedioic acid, hexadecyl-
  • 1,1-Heptadecanedicarboxylic acid
  • Hexadecylmalonic acid
  • 2-Hexadecylmalonic acid
  • NSC 74095
  • Hexadecyl propanedioic acid

Work with 2-Hexadecylpropanedioic 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

Butylmalonic acid534-59-884 % similar 2-Hexyldecanoic acid25354-97-671 % similar 2-Hydroxyhexadecanoic acid10067-06-867 % similar 2-Hydroxytetradecanoic acid2507-55-367 % similar 2-Hydroxyoctanoic acid617-73-267 % similar 2-Hydroxyhexadecanoic acid764-67-067 % similar 2-Bromooctadecanoic acid142-94-965 % similar 2-Bromohexadecanoic acid18263-25-765 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook