octadecanal

C18H36O — CID 12533

IUPACoctadecanal
SMILESCCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
InChIKeyFWWQKRXKHIRPJY-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.45
Rot. Bonds16

About octadecanal

octadecanal (PubChem CID 12533) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is octadecanal.

Molecular Properties

Compound Nameoctadecanal
PubChem CID12533
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Nameoctadecanal
SMILESCCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
InChIKeyFWWQKRXKHIRPJY-UHFFFAOYSA-N
XLogP6.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.45
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'}

Analyze octadecanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nonanal
CID 31289
Decanal
CID 8175
Tetradecanal
CID 31291
Octanal
CID 454
Dodecanal
CID 8194
Undecanal
CID 8186
Hexadecanal
CID 984
Pentadecanal
CID 17697
Tridecanal
CID 25311
Heptadecanal
CID 71552
Hexacosanal
CID 3084462
Triacontanal
CID 3084375

Frequently Asked Questions

What is the IUPAC name of octadecanal?
The IUPAC name of octadecanal (CID 12533) is octadecanal.
What is the SMILES notation for octadecanal?
The canonical SMILES for octadecanal is CCCCCCCCCCCCCCCCCC=O.
What is the InChIKey of octadecanal?
The InChIKey is FWWQKRXKHIRPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3.
What are the key properties of octadecanal?
octadecanal has a molecular weight of 268.48 g/mol, XLogP of 6.45, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanal is sourced from PubChem (CID 12533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).