chempirical

Ethyl nonadecanoate

C21H42O2CAS 18281-04-4326.56 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C21H42O2
Molar mass
326.56 g/mol
Exact mass
326.3185 Da
logP
7.20Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
18

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
18281-04-4
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OCC
InChIKey
ICVYQLQYVCXJNE-UHFFFAOYSA-N
InChI
InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-4-2/h3-20H2,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • N-Nonadecanoic acid ethyl ester

Work with Ethyl nonadecanoate

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

Ethyl heptanoate106-30-9100 % similar Ethyl octanoate106-32-1100 % similar Ethyl dodecanoate106-33-2100 % similar Ethyl decanoate110-38-3100 % similar Ethyl stearate111-61-5100 % similar Ethyl nonanoate123-29-5100 % similar Ethyl myristate124-06-1100 % similar Ethyl heptadecanoate14010-23-2100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl eicosanoate1120-28-1 Isopropyl stearate112-10-7 Heneicosylic acid2363-71-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook