Heneicosylic acid

C₂₁H₄₂O₂CAS 2363-71-5326.56 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₂₁H₄₂O₂
Molar mass: 326.56 g/mol
Exact mass: 326.3185 Da
Melting point: 75–76 °C
Boiling point: 168–171 °C (at 2 Torr)
logP: 7.50Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 19

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

2363-71-5

SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)O

InChIKey

CKDDRHZIAZRDBW-UHFFFAOYSA-N

InChI

InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)

Weigh it out

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

Names and synonyms

2 names

Heneicosanoic acid
n-Heneicosanoic acid

Work with Heneicosylic 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

Pentadecylic acid1002-84-2100 % similar Enanthic acid111-14-8100 % similar Pelargonic acid112-05-0100 % similar Undecylic acid112-37-8100 % similar Behenic acid112-85-6100 % similar Caprylic acid124-07-2100 % similar Lauric acid143-07-7100 % similar Tricosylic acid2433-96-7100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl eicosanoate1120-28-1 Isopropyl stearate112-10-7 Ethyl nonadecanoate18281-04-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia