5-hydroxyoctacosanoic acid

C28H56O3 — CID 163192257

IUPAC5-hydroxyoctacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C28H56O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)25-23-26-28(30)31/h27,29H,2-26H2,1H3,(H,30,31)
InChIKeyHBDDYPKEHAKTRT-UHFFFAOYSA-N
MW440.75 g/mol
LogP9.20
Rot. Bonds26

About 5-hydroxyoctacosanoic acid

5-hydroxyoctacosanoic acid (PubChem CID 163192257) has the molecular formula C28H56O3 and a molecular weight of 440.75 g/mol. Its IUPAC name is 5-hydroxyoctacosanoic acid.

Molecular Properties

Compound Name5-hydroxyoctacosanoic acid
PubChem CID163192257
Molecular FormulaC28H56O3
Molecular Weight440.75 g/mol
Exact Mass440.42
IUPAC Name5-hydroxyoctacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C28H56O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)25-23-26-28(30)31/h27,29H,2-26H2,1H3,(H,30,31)
InChIKeyHBDDYPKEHAKTRT-UHFFFAOYSA-N
XLogP9.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.75
LogP ≤ 59.20
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-hydroxyoctacosanoic acid?
The IUPAC name of 5-hydroxyoctacosanoic acid (CID 163192257) is 5-hydroxyoctacosanoic acid.
What is the SMILES notation for 5-hydroxyoctacosanoic acid?
The canonical SMILES for 5-hydroxyoctacosanoic acid is CCCCCCCCCCCCCCCCCCCCCCCC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxyoctacosanoic acid?
The InChIKey is HBDDYPKEHAKTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(29)25-23-26-28(30)31/h27,29H,2-26H2,1H3,(H,30,31).
What are the key properties of 5-hydroxyoctacosanoic acid?
5-hydroxyoctacosanoic acid has a molecular weight of 440.75 g/mol, XLogP of 9.20, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyoctacosanoic acid is sourced from PubChem (CID 163192257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).