5-hydroxypentacosanoic acid

C25H50O3 — CID 163192805

IUPAC5-hydroxypentacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C25H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-20-23-25(27)28/h24,26H,2-23H2,1H3,(H,27,28)
InChIKeyPKDYDJVMTADGIM-UHFFFAOYSA-N
MW398.67 g/mol
LogP8.03
Rot. Bonds23

About 5-hydroxypentacosanoic acid

5-hydroxypentacosanoic acid (PubChem CID 163192805) has the molecular formula C25H50O3 and a molecular weight of 398.67 g/mol. Its IUPAC name is 5-hydroxypentacosanoic acid.

Molecular Properties

Compound Name5-hydroxypentacosanoic acid
PubChem CID163192805
Molecular FormulaC25H50O3
Molecular Weight398.67 g/mol
Exact Mass398.38
IUPAC Name5-hydroxypentacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C25H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-20-23-25(27)28/h24,26H,2-23H2,1H3,(H,27,28)
InChIKeyPKDYDJVMTADGIM-UHFFFAOYSA-N
XLogP8.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.67
LogP ≤ 58.03
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 5-hydroxypentacosanoic acid?
The IUPAC name of 5-hydroxypentacosanoic acid (CID 163192805) is 5-hydroxypentacosanoic acid.
What is the SMILES notation for 5-hydroxypentacosanoic acid?
The canonical SMILES for 5-hydroxypentacosanoic acid is CCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxypentacosanoic acid?
The InChIKey is PKDYDJVMTADGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(26)22-20-23-25(27)28/h24,26H,2-23H2,1H3,(H,27,28).
What are the key properties of 5-hydroxypentacosanoic acid?
5-hydroxypentacosanoic acid has a molecular weight of 398.67 g/mol, XLogP of 8.03, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentacosanoic acid is sourced from PubChem (CID 163192805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).