2-undecanoyloxyacetic acid

C13H24O4 — CID 88767061

IUPAC2-undecanoyloxyacetic acid
SMILESCCCCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-10-13(16)17-11-12(14)15/h2-11H2,1H3,(H,14,15)
InChIKeyLNWVSZXGQLMURR-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.14
Rot. Bonds11

About 2-undecanoyloxyacetic acid

2-undecanoyloxyacetic acid (PubChem CID 88767061) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-undecanoyloxyacetic acid.

Molecular Properties

Compound Name2-undecanoyloxyacetic acid
PubChem CID88767061
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-undecanoyloxyacetic acid
SMILESCCCCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-10-13(16)17-11-12(14)15/h2-11H2,1H3,(H,14,15)
InChIKeyLNWVSZXGQLMURR-UHFFFAOYSA-N
XLogP3.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.14
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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Related Compounds

2-nonanoyloxyacetic acid
CID 19734907
2-tetracosanoyloxyacetic acid
CID 88765616
(2-chloro-2-oxoethyl) octadecanoate;2-octadecanoyloxyacetic acid
CID 159608143
(3-heptanoyloxy-2-oxopropyl) heptanoate
CID 134318597
2-hydroxyacetic acid;2-octanoyloxyethaneperoxoic acid
CID 162035177
ethyl octanoate;octanoic acid
CID 18625122
ethyl tetradecanoate
CID 89052756
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
2-henicosanoyloxyethyl henicosanoate
CID 54483902
pentakis(ethyl octanoate);hexane
CID 173194775

Frequently Asked Questions

What is the IUPAC name of 2-undecanoyloxyacetic acid?
The IUPAC name of 2-undecanoyloxyacetic acid (CID 88767061) is 2-undecanoyloxyacetic acid.
What is the SMILES notation for 2-undecanoyloxyacetic acid?
The canonical SMILES for 2-undecanoyloxyacetic acid is CCCCCCCCCCC(=O)OCC(=O)O.
What is the InChIKey of 2-undecanoyloxyacetic acid?
The InChIKey is LNWVSZXGQLMURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-2-3-4-5-6-7-8-9-10-13(16)17-11-12(14)15/h2-11H2,1H3,(H,14,15).
What are the key properties of 2-undecanoyloxyacetic acid?
2-undecanoyloxyacetic acid has a molecular weight of 244.33 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecanoyloxyacetic acid is sourced from PubChem (CID 88767061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).