chempirical

Decyl laurate

C22H44O2CAS 36528-28-6340.59 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C22H44O2
Molar mass
340.59 g/mol
Exact mass
340.3341 Da
logP
7.59Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
19

Identifiers

CAS number
36528-28-6
SMILES
CCCCCCCCCCCC(=O)OCCCCCCCCCC
InChIKey
RAPXDXJBAYUBHI-UHFFFAOYSA-N
InChI
InChI=1S/C22H44O2/c1-3-5-7-9-11-13-14-16-18-20-22(23)24-21-19-17-15-12-10-8-6-4-2/h3-21H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • Dodecanoic acid, decyl ester
  • Lauric acid, decyl ester
  • Decyl dodecanoate

Work with Decyl laurate

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

Dioctyl adipate123-79-5100 % similar Decyl decanoate1654-86-0100 % similar Dioctyl decanedioate2432-87-3100 % similar Stearyl stearate2778-96-3100 % similar Myristyl myristate3234-85-3100 % similar Dinonyl sebacate4121-16-8100 % similar Cetyl palmitate540-10-3100 % similar Hexyl hexanoate6378-65-0100 % similar

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

Same formula

Behenic acid112-85-6 Butyl stearate123-95-5 Ethyl eicosanoate18281-05-5

Elsewhere

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