2-ethoxyicosanoic acid

C22H44O3 — CID 86106777

IUPAC2-ethoxyicosanoic acid
SMILESCCCCCCCCCCCCCCCCCCC(OCC)C(=O)O
InChIInChI=1S/C22H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(23)24)25-4-2/h21H,3-20H2,1-2H3,(H,23,24)
InChIKeyXWGLYJWOIFEKLK-UHFFFAOYSA-N
MW356.59 g/mol
LogP7.13
Rot. Bonds20

About 2-ethoxyicosanoic acid

2-ethoxyicosanoic acid (PubChem CID 86106777) has the molecular formula C22H44O3 and a molecular weight of 356.59 g/mol. Its IUPAC name is 2-ethoxyicosanoic acid.

Molecular Properties

Compound Name2-ethoxyicosanoic acid
PubChem CID86106777
Molecular FormulaC22H44O3
Molecular Weight356.59 g/mol
Exact Mass356.33
IUPAC Name2-ethoxyicosanoic acid
SMILESCCCCCCCCCCCCCCCCCCC(OCC)C(=O)O
InChIInChI=1S/C22H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(23)24)25-4-2/h21H,3-20H2,1-2H3,(H,23,24)
InChIKeyXWGLYJWOIFEKLK-UHFFFAOYSA-N
XLogP7.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.59
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-decoxydecanoic acid
CID 152638766
3-ethoxyundecan-2-one
CID 10262699
2-ethoxy-1-silylundecan-1-one
CID 174059863
2-ethoxyoctanamide
CID 174492663
2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
2-methoxypentacosanoic acid
CID 10476799
2-(2-bromo-3-oxopropoxy)octanoic acid
CID 87701125
2-ethoxy-7-oxoheptanoic acid
CID 141127524
2-[2-[2-[1-(1-carboxynonoxy)decan-2-yloxy]ethoxy]decoxy]decanoic acid
CID 10010065
(2S)-2-acetyloxydodecanoic acid
CID 90302969
2-acetyloxyhexadecanoic acid
CID 15599534

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyicosanoic acid?
The IUPAC name of 2-ethoxyicosanoic acid (CID 86106777) is 2-ethoxyicosanoic acid.
What is the SMILES notation for 2-ethoxyicosanoic acid?
The canonical SMILES for 2-ethoxyicosanoic acid is CCCCCCCCCCCCCCCCCCC(OCC)C(=O)O.
What is the InChIKey of 2-ethoxyicosanoic acid?
The InChIKey is XWGLYJWOIFEKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22(23)24)25-4-2/h21H,3-20H2,1-2H3,(H,23,24).
What are the key properties of 2-ethoxyicosanoic acid?
2-ethoxyicosanoic acid has a molecular weight of 356.59 g/mol, XLogP of 7.13, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyicosanoic acid is sourced from PubChem (CID 86106777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).