Heptadecanedioic acid

C17H32O4CAS 2424-90-0300.44 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C17H32O4
Molar mass
300.44 g/mol
Exact mass
300.2301 Da
Melting point
116–117 °C
Boiling point
170–190 °C (at 0.3 Torr)
logP
5.01Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
16

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
2424-90-0
SMILES
O=C(O)CCCCCCCCCCCCCCCC(=O)O
InChIKey
QCNWZROVPSVEJA-UHFFFAOYSA-N
InChI
InChI=1S/C17H32O4/c18-16(19)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(20)21/h1-15H2,(H,18,19)(H,20,21)

Weigh it out

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

Names and synonyms

4 names
  • 1,15-Pentadecanedicarboxylic acid
  • 1,17-Heptadecanedioic acid
  • Pentadecanedicarboxylic acid
  • ω-Carboxypalmitic acid

Work with Heptadecanedioic 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 Eicosanedioic acid2424-92-2100 % similar Suberic acid505-48-6100 % similar Brassylic acid505-52-2100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dibutyl azelate2917-73-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook