chempirical

Ethyl pentadecanoate

C17H34O2CAS 41114-00-5270.46 g/mol

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Ester

Properties

Molecular formula
C17H34O2
Molar mass
270.46 g/mol
Exact mass
270.2559 Da
Boiling point
172–174 °C (at 16 Torr)
logP
5.64Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
14

Hazards

Not classified as hazardous under GHS by 89 ECHA notifiers. Aggregated from 89 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
41114-00-5
SMILES
CCCCCCCCCCCCCCC(=O)OCC
InChIKey
PTEYJUIKYIKULL-UHFFFAOYSA-N
InChI
InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h3-16H2,1-2H3

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Names and synonyms

2 names
  • Pentadecanoic acid, ethyl ester
  • NSC 137833

Work with Ethyl pentadecanoate

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

Isopropyl myristate110-27-0 Methyl palmitate112-39-0 Margaric acid506-12-7 Isoamyl laurate6309-51-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook