10,12-Pentacosadiynoic acid

C₂₅H₄₂O₂CAS 66990-32-7374.61 g/mol

Open in Covalent MOL file

Alkyne Carboxylic acid

Properties

Molecular formula: C₂₅H₄₂O₂
Molar mass: 374.61 g/mol
Exact mass: 374.3185 Da
logP: 7.51Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 18

Hazards

Warning

H315 Causes skin irritation98.9% of notifiers
H319 Causes serious eye irritation98.9% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 88 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

66990-32-7

SMILES

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)O

InChIKey

ZPUDRBWHCWYMQS-UHFFFAOYSA-N

InChI

InChI=1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-12,17-24H2,1H3,(H,26,27)

Weigh it out

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Names and synonyms

3 names

DA 3261
Pentacosa-10,12-diynoic acid
10,12-Pentacosadiynioic acid

Work with 10,12-Pentacosadiynoic 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

10,12-Tricosadiynoic acid66990-30-5100 % similar Stearolic acid506-24-187 % similar 5,8,11-Eicosatriynoic acid13488-22-774 % similar Pentadecylic acid1002-84-272 % similar Enanthic acid111-14-872 % similar Pelargonic acid112-05-072 % similar Undecylic acid112-37-872 % similar Behenic acid112-85-672 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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