2-tetradecanoyloxyacetic acid

C16H30O4 — CID 57481508

IUPAC2-tetradecanoyloxyacetic acid
SMILESCCCCCCCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)20-14-15(17)18/h2-14H2,1H3,(H,17,18)
InChIKeyFYQQRVLFTSRERN-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.32
Rot. Bonds14

About 2-tetradecanoyloxyacetic acid

2-tetradecanoyloxyacetic acid (PubChem CID 57481508) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 2-tetradecanoyloxyacetic acid.

Molecular Properties

Compound Name2-tetradecanoyloxyacetic acid
PubChem CID57481508
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name2-tetradecanoyloxyacetic acid
SMILESCCCCCCCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)20-14-15(17)18/h2-14H2,1H3,(H,17,18)
InChIKeyFYQQRVLFTSRERN-UHFFFAOYSA-N
XLogP4.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-tetradecanoyloxyacetic acid?
The IUPAC name of 2-tetradecanoyloxyacetic acid (CID 57481508) is 2-tetradecanoyloxyacetic acid.
What is the SMILES notation for 2-tetradecanoyloxyacetic acid?
The canonical SMILES for 2-tetradecanoyloxyacetic acid is CCCCCCCCCCCCCC(=O)OCC(=O)O.
What is the InChIKey of 2-tetradecanoyloxyacetic acid?
The InChIKey is FYQQRVLFTSRERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)20-14-15(17)18/h2-14H2,1H3,(H,17,18).
What are the key properties of 2-tetradecanoyloxyacetic acid?
2-tetradecanoyloxyacetic acid has a molecular weight of 286.41 g/mol, XLogP of 4.32, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecanoyloxyacetic acid is sourced from PubChem (CID 57481508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).