hexacosanal

C26H52O — CID 3084462

IUPAChexacosanal
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C26H52O/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/h26H,2-25H2,1H3
InChIKeyQAXXQMIHMLTJQI-UHFFFAOYSA-N
MW380.70 g/mol
LogP9.57
Rot. Bonds24

About hexacosanal

hexacosanal (PubChem CID 3084462) has the molecular formula C26H52O and a molecular weight of 380.70 g/mol. Its IUPAC name is hexacosanal.

Molecular Properties

Compound Namehexacosanal
PubChem CID3084462
Molecular FormulaC26H52O
Molecular Weight380.70 g/mol
Exact Mass380.40
IUPAC Namehexacosanal
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C26H52O/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/h26H,2-25H2,1H3
InChIKeyQAXXQMIHMLTJQI-UHFFFAOYSA-N
XLogP9.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.70
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexacosanal?
The IUPAC name of hexacosanal (CID 3084462) is hexacosanal.
What is the SMILES notation for hexacosanal?
The canonical SMILES for hexacosanal is CCCCCCCCCCCCCCCCCCCCCCCCCC=O.
What is the InChIKey of hexacosanal?
The InChIKey is QAXXQMIHMLTJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O/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/h26H,2-25H2,1H3.
What are the key properties of hexacosanal?
hexacosanal has a molecular weight of 380.70 g/mol, XLogP of 9.57, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosanal is sourced from PubChem (CID 3084462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).