Thapsic acid

C16H30O4CAS 505-54-4286.41 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C16H30O4
Molar mass
286.41 g/mol
Exact mass
286.2144 Da
Melting point
113 °C
Boiling point
184–188 °C (at 0.07 Torr)
logP
4.62Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
15

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
505-54-4
SMILES
O=C(O)CCCCCCCCCCCCCCC(=O)O
InChIKey
QQHJDPROMQRDLA-UHFFFAOYSA-N
InChI
InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)

Weigh it out

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

Names and synonyms

6 names
  • n-Tetradecane-ω,ω′-dicarboxylic acid
  • 1,16-Hexadecanedioic acid
  • α,ω-Tetradecanedicarboxylic acid
  • NSC 15164
  • Hexadecanedioic acid
  • 1,14-Tetradecanedicarboxylic acid

Work with Thapsic 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 Heptadecanedioic acid2424-90-0100 % similar Eicosanedioic acid2424-92-2100 % similar Suberic acid505-48-6100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-31068-27-5 Dipropyl sebacate15419-91-7 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate6846-50-0 Diisopropyl sebacate7491-02-3

Elsewhere

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