2-octanoyloxyacetic acid

C10H18O4 — CID 14766554

IUPAC2-octanoyloxyacetic acid
SMILESCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-6-7-10(13)14-8-9(11)12/h2-8H2,1H3,(H,11,12)
InChIKeyUZZOGEGVGLGSSG-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.97
Rot. Bonds8

About 2-octanoyloxyacetic acid

2-octanoyloxyacetic acid (PubChem CID 14766554) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-octanoyloxyacetic acid.

Molecular Properties

Compound Name2-octanoyloxyacetic acid
PubChem CID14766554
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-octanoyloxyacetic acid
SMILESCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-6-7-10(13)14-8-9(11)12/h2-8H2,1H3,(H,11,12)
InChIKeyUZZOGEGVGLGSSG-UHFFFAOYSA-N
XLogP1.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.97
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-octanoyloxyacetic acid?
The IUPAC name of 2-octanoyloxyacetic acid (CID 14766554) is 2-octanoyloxyacetic acid.
What is the SMILES notation for 2-octanoyloxyacetic acid?
The canonical SMILES for 2-octanoyloxyacetic acid is CCCCCCCC(=O)OCC(=O)O.
What is the InChIKey of 2-octanoyloxyacetic acid?
The InChIKey is UZZOGEGVGLGSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-2-3-4-5-6-7-10(13)14-8-9(11)12/h2-8H2,1H3,(H,11,12).
What are the key properties of 2-octanoyloxyacetic acid?
2-octanoyloxyacetic acid has a molecular weight of 202.25 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octanoyloxyacetic acid is sourced from PubChem (CID 14766554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).