undecanal

C11H22O — CID 8186

IUPACundecanal
SMILESCCCCCCCCCCC=O
InChIInChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
InChIKeyKMPQYAYAQWNLME-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.72
Rot. Bonds9

About undecanal

undecanal (PubChem CID 8186) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is undecanal.

Molecular Properties

Compound Nameundecanal
PubChem CID8186
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nameundecanal
SMILESCCCCCCCCCCC=O
InChIInChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
InChIKeyKMPQYAYAQWNLME-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.72
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 undecanal?
The IUPAC name of undecanal (CID 8186) is undecanal.
What is the SMILES notation for undecanal?
The canonical SMILES for undecanal is CCCCCCCCCCC=O.
What is the InChIKey of undecanal?
The InChIKey is KMPQYAYAQWNLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3.
What are the key properties of undecanal?
undecanal has a molecular weight of 170.30 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undecanal is sourced from PubChem (CID 8186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).