2-decanoyloxyacetic acid

C12H22O4 — CID 10198511

IUPAC2-decanoyloxyacetic acid
SMILESCCCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C12H22O4/c1-2-3-4-5-6-7-8-9-12(15)16-10-11(13)14/h2-10H2,1H3,(H,13,14)
InChIKeyOEDYQXWQTVGDCG-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.75
Rot. Bonds10

About 2-decanoyloxyacetic acid

2-decanoyloxyacetic acid (PubChem CID 10198511) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-decanoyloxyacetic acid.

Molecular Properties

Compound Name2-decanoyloxyacetic acid
PubChem CID10198511
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2-decanoyloxyacetic acid
SMILESCCCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C12H22O4/c1-2-3-4-5-6-7-8-9-12(15)16-10-11(13)14/h2-10H2,1H3,(H,13,14)
InChIKeyOEDYQXWQTVGDCG-UHFFFAOYSA-N
XLogP2.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.75
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-decanoyloxyacetic acid?
The IUPAC name of 2-decanoyloxyacetic acid (CID 10198511) is 2-decanoyloxyacetic acid.
What is the SMILES notation for 2-decanoyloxyacetic acid?
The canonical SMILES for 2-decanoyloxyacetic acid is CCCCCCCCCC(=O)OCC(=O)O.
What is the InChIKey of 2-decanoyloxyacetic acid?
The InChIKey is OEDYQXWQTVGDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-2-3-4-5-6-7-8-9-12(15)16-10-11(13)14/h2-10H2,1H3,(H,13,14).
What are the key properties of 2-decanoyloxyacetic acid?
2-decanoyloxyacetic acid has a molecular weight of 230.30 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decanoyloxyacetic acid is sourced from PubChem (CID 10198511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).