16-(16-oxohexadecoxy)hexadecanal

C32H62O3 — CID 87509641

IUPAC16-(16-oxohexadecoxy)hexadecanal
SMILESO=CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C32H62O3/c33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34/h29-30H,1-28,31-32H2
InChIKeyCKUBKNJNEGCUCX-UHFFFAOYSA-N
MW494.85 g/mol
LogP10.32
Rot. Bonds32

About 16-(16-oxohexadecoxy)hexadecanal

16-(16-oxohexadecoxy)hexadecanal (PubChem CID 87509641) has the molecular formula C32H62O3 and a molecular weight of 494.85 g/mol. Its IUPAC name is 16-(16-oxohexadecoxy)hexadecanal.

Molecular Properties

Compound Name16-(16-oxohexadecoxy)hexadecanal
PubChem CID87509641
Molecular FormulaC32H62O3
Molecular Weight494.85 g/mol
Exact Mass494.47
IUPAC Name16-(16-oxohexadecoxy)hexadecanal
SMILESO=CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C32H62O3/c33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34/h29-30H,1-28,31-32H2
InChIKeyCKUBKNJNEGCUCX-UHFFFAOYSA-N
XLogP10.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.85
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 16-(16-oxohexadecoxy)hexadecanal?
The IUPAC name of 16-(16-oxohexadecoxy)hexadecanal (CID 87509641) is 16-(16-oxohexadecoxy)hexadecanal.
What is the SMILES notation for 16-(16-oxohexadecoxy)hexadecanal?
The canonical SMILES for 16-(16-oxohexadecoxy)hexadecanal is O=CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC=O.
What is the InChIKey of 16-(16-oxohexadecoxy)hexadecanal?
The InChIKey is CKUBKNJNEGCUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62O3/c33-29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-31-35-32-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-34/h29-30H,1-28,31-32H2.
What are the key properties of 16-(16-oxohexadecoxy)hexadecanal?
16-(16-oxohexadecoxy)hexadecanal has a molecular weight of 494.85 g/mol, XLogP of 10.32, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(16-oxohexadecoxy)hexadecanal is sourced from PubChem (CID 87509641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).