tetradecyl propanoate

C17H34O2 — CID 22589

IUPACtetradecyl propanoate
SMILESCCCCCCCCCCCCCCOC(=O)CC
InChIInChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h3-16H2,1-2H3
InChIKeyYRZGMTHQPGNLEK-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.64
Rot. Bonds14

About tetradecyl propanoate

tetradecyl propanoate (PubChem CID 22589) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is tetradecyl propanoate.

Molecular Properties

Compound Nametetradecyl propanoate
PubChem CID22589
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Nametetradecyl propanoate
SMILESCCCCCCCCCCCCCCOC(=O)CC
InChIInChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h3-16H2,1-2H3
InChIKeyYRZGMTHQPGNLEK-UHFFFAOYSA-N
XLogP5.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetradecyl propanoate?
The IUPAC name of tetradecyl propanoate (CID 22589) is tetradecyl propanoate.
What is the SMILES notation for tetradecyl propanoate?
The canonical SMILES for tetradecyl propanoate is CCCCCCCCCCCCCCOC(=O)CC.
What is the InChIKey of tetradecyl propanoate?
The InChIKey is YRZGMTHQPGNLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)4-2/h3-16H2,1-2H3.
What are the key properties of tetradecyl propanoate?
tetradecyl propanoate has a molecular weight of 270.46 g/mol, XLogP of 5.64, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl propanoate is sourced from PubChem (CID 22589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).