icosanoic acid

C20H40O2 — CID 10467

IUPACicosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
InChIKeyVKOBVWXKNCXXDE-UHFFFAOYSA-N
MW312.54 g/mol
LogP7.11
Rot. Bonds18

About icosanoic acid

icosanoic acid (PubChem CID 10467) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is icosanoic acid.

Molecular Properties

Compound Nameicosanoic acid
PubChem CID10467
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Nameicosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
InChIKeyVKOBVWXKNCXXDE-UHFFFAOYSA-N
XLogP7.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 icosanoic acid?
The IUPAC name of icosanoic acid (CID 10467) is icosanoic acid.
What is the SMILES notation for icosanoic acid?
The canonical SMILES for icosanoic acid is CCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of icosanoic acid?
The InChIKey is VKOBVWXKNCXXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22).
What are the key properties of icosanoic acid?
icosanoic acid has a molecular weight of 312.54 g/mol, XLogP of 7.11, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosanoic acid is sourced from PubChem (CID 10467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).