hexacosanoic acid

C26H52O2 — CID 10469

IUPAChexacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)
InChIKeyXMHIUKTWLZUKEX-UHFFFAOYSA-N
MW396.70 g/mol
LogP9.45
Rot. Bonds24

About hexacosanoic acid

hexacosanoic acid (PubChem CID 10469) has the molecular formula C26H52O2 and a molecular weight of 396.70 g/mol. Its IUPAC name is hexacosanoic acid.

Molecular Properties

Compound Namehexacosanoic acid
PubChem CID10469
Molecular FormulaC26H52O2
Molecular Weight396.70 g/mol
Exact Mass396.40
IUPAC Namehexacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)
InChIKeyXMHIUKTWLZUKEX-UHFFFAOYSA-N
XLogP9.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.70
LogP ≤ 59.45
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 hexacosanoic acid?
The IUPAC name of hexacosanoic acid (CID 10469) is hexacosanoic acid.
What is the SMILES notation for hexacosanoic acid?
The canonical SMILES for hexacosanoic acid is CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of hexacosanoic acid?
The InChIKey is XMHIUKTWLZUKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28).
What are the key properties of hexacosanoic acid?
hexacosanoic acid has a molecular weight of 396.70 g/mol, XLogP of 9.45, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosanoic acid is sourced from PubChem (CID 10469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).