Pentadecanedioic acid

C₁₅H₂₈O₄CAS 1460-18-0272.38 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₅H₂₈O₄
Molar mass: 272.38 g/mol
Exact mass: 272.1988 Da
Melting point: 114.6 °C
logP: 4.23Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 14

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 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

1460-18-0

SMILES

O=C(O)CCCCCCCCCCCCCC(=O)O

InChIKey

BTZVDPWKGXMQFW-UHFFFAOYSA-N

InChI

InChI=1S/C15H28O4/c16-14(17)12-10-8-6-4-2-1-3-5-7-9-11-13-15(18)19/h1-13H2,(H,16,17)(H,18,19)

Weigh it out

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

Names and synonyms

4 names

1,13-Tridecanedicarboxylic acid
1,15-Pentadecanedioic acid
1,13-Tridecamethylenedicarboxylic acid
ω-Carboxymyristic acid

Work with Pentadecanedioic 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 Undecanedioic acid1852-04-6100 % similar Heptadecanedioic acid2424-90-0100 % 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

Diethyl dibutylmalonate596-75-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook