2-tetracosanoyloxyacetic acid

C26H50O4 — CID 88765616

IUPAC2-tetracosanoyloxyacetic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C26H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)30-24-25(27)28/h2-24H2,1H3,(H,27,28)
InChIKeyOBPRTZBYYWWRGJ-UHFFFAOYSA-N
MW426.68 g/mol
LogP8.22
Rot. Bonds24

About 2-tetracosanoyloxyacetic acid

2-tetracosanoyloxyacetic acid (PubChem CID 88765616) has the molecular formula C26H50O4 and a molecular weight of 426.68 g/mol. Its IUPAC name is 2-tetracosanoyloxyacetic acid.

Molecular Properties

Compound Name2-tetracosanoyloxyacetic acid
PubChem CID88765616
Molecular FormulaC26H50O4
Molecular Weight426.68 g/mol
Exact Mass426.37
IUPAC Name2-tetracosanoyloxyacetic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)O
InChIInChI=1S/C26H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)30-24-25(27)28/h2-24H2,1H3,(H,27,28)
InChIKeyOBPRTZBYYWWRGJ-UHFFFAOYSA-N
XLogP8.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.68
LogP ≤ 58.22
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-undecanoyloxyacetic acid
CID 88767061
(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-tetracosanoyloxyacetic acid?
The IUPAC name of 2-tetracosanoyloxyacetic acid (CID 88765616) is 2-tetracosanoyloxyacetic acid.
What is the SMILES notation for 2-tetracosanoyloxyacetic acid?
The canonical SMILES for 2-tetracosanoyloxyacetic acid is CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)O.
What is the InChIKey of 2-tetracosanoyloxyacetic acid?
The InChIKey is OBPRTZBYYWWRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(29)30-24-25(27)28/h2-24H2,1H3,(H,27,28).
What are the key properties of 2-tetracosanoyloxyacetic acid?
2-tetracosanoyloxyacetic acid has a molecular weight of 426.68 g/mol, XLogP of 8.22, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetracosanoyloxyacetic acid is sourced from PubChem (CID 88765616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).