docosanoic acid

C22H44O2 — CID 8215

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IUPACdocosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKeyUKMSUNONTOPOIO-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.89
Rot. Bonds20

About docosanoic acid

docosanoic acid (PubChem CID 8215) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is docosanoic acid.

Molecular Properties

Compound Namedocosanoic acid
PubChem CID8215
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Namedocosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)
InChIKeyUKMSUNONTOPOIO-UHFFFAOYSA-N
XLogP7.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.89
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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Related Compounds

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Lauric Acid
CID 3893
Nonanoic Acid
CID 8158
Palmitic Acid
CID 985
Azelaic Acid
CID 2266
Stearic Acid
CID 5281
Heptanoic Acid
CID 8094
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Phytanic Acid
CID 26840

Frequently Asked Questions

What is the IUPAC name of docosanoic acid?
The IUPAC name of docosanoic acid (CID 8215) is docosanoic acid.
What is the SMILES notation for docosanoic acid?
The canonical SMILES for docosanoic acid is CCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of docosanoic acid?
The InChIKey is UKMSUNONTOPOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24).
What are the key properties of docosanoic acid?
docosanoic acid has a molecular weight of 340.59 g/mol, XLogP of 7.89, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for docosanoic acid is sourced from PubChem (CID 8215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).