chempirical

Ethyl tridecanoate

C15H30O2CAS 28267-29-0242.40 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C15H30O2
Molar mass
242.40 g/mol
Exact mass
242.2246 Da
Boiling point
133–134 °C (at 4 Torr)
logP
4.86Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
12

Identifiers

CAS number
28267-29-0
SMILES
CCCCCCCCCCCCC(=O)OCC
InChIKey
QJYYMNOTJXIOBP-UHFFFAOYSA-N
InChI
InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3

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

Names and synonyms

2 names
  • Tridecanoic acid, ethyl ester
  • Ethyl n-tridecanoate

Work with Ethyl tridecanoate

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

Pentadecylic acid1002-84-2 Methyl myristate124-10-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook