2-hydroxy-22-methyltetracosanoic acid

C25H50O3 — CID 23427392

IUPAC2-hydroxy-22-methyltetracosanoic acid
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C25H50O3/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(26)25(27)28/h23-24,26H,3-22H2,1-2H3,(H,27,28)
InChIKeyIJYLBYZUFMZUOS-UHFFFAOYSA-N
MW398.67 g/mol
LogP7.89
Rot. Bonds22

About 2-hydroxy-22-methyltetracosanoic acid

2-hydroxy-22-methyltetracosanoic acid (PubChem CID 23427392) has the molecular formula C25H50O3 and a molecular weight of 398.67 g/mol. Its IUPAC name is 2-hydroxy-22-methyltetracosanoic acid.

Molecular Properties

Compound Name2-hydroxy-22-methyltetracosanoic acid
PubChem CID23427392
Molecular FormulaC25H50O3
Molecular Weight398.67 g/mol
Exact Mass398.38
IUPAC Name2-hydroxy-22-methyltetracosanoic acid
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C25H50O3/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(26)25(27)28/h23-24,26H,3-22H2,1-2H3,(H,27,28)
InChIKeyIJYLBYZUFMZUOS-UHFFFAOYSA-N
XLogP7.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.67
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-hydroxy-22-methyltetracosanoic acid?
The IUPAC name of 2-hydroxy-22-methyltetracosanoic acid (CID 23427392) is 2-hydroxy-22-methyltetracosanoic acid.
What is the SMILES notation for 2-hydroxy-22-methyltetracosanoic acid?
The canonical SMILES for 2-hydroxy-22-methyltetracosanoic acid is CCC(C)CCCCCCCCCCCCCCCCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-22-methyltetracosanoic acid?
The InChIKey is IJYLBYZUFMZUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O3/c1-3-23(2)21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-22-24(26)25(27)28/h23-24,26H,3-22H2,1-2H3,(H,27,28).
What are the key properties of 2-hydroxy-22-methyltetracosanoic acid?
2-hydroxy-22-methyltetracosanoic acid has a molecular weight of 398.67 g/mol, XLogP of 7.89, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-22-methyltetracosanoic acid is sourced from PubChem (CID 23427392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).