hexadecanal

C16H32O — CID 984

IUPAChexadecanal
SMILESCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
InChIKeyNIOYUNMRJMEDGI-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.67
Rot. Bonds14

About hexadecanal

hexadecanal (PubChem CID 984) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is hexadecanal.

Molecular Properties

Compound Namehexadecanal
PubChem CID984
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Namehexadecanal
SMILESCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
InChIKeyNIOYUNMRJMEDGI-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.67
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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Related Compounds

Nonanal
CID 31289
Decanal
CID 8175
Tetradecanal
CID 31291
Octanal
CID 454
Dodecanal
CID 8194
Undecanal
CID 8186
Pentadecanal
CID 17697
Tridecanal
CID 25311
Octadecanal
CID 12533
Heptadecanal
CID 71552
Hexacosanal
CID 3084462
Triacontanal
CID 3084375

Frequently Asked Questions

What is the IUPAC name of hexadecanal?
The IUPAC name of hexadecanal (CID 984) is hexadecanal.
What is the SMILES notation for hexadecanal?
The canonical SMILES for hexadecanal is CCCCCCCCCCCCCCCC=O.
What is the InChIKey of hexadecanal?
The InChIKey is NIOYUNMRJMEDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3.
What are the key properties of hexadecanal?
hexadecanal has a molecular weight of 240.43 g/mol, XLogP of 5.67, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanal is sourced from PubChem (CID 984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).