decanal

C10H20O — CID 8175

IUPACdecanal
SMILESCCCCCCCCCC=O
InChIInChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
InChIKeyKSMVZQYAVGTKIV-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.33
Rot. Bonds8

About decanal

decanal (PubChem CID 8175) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is decanal.

Molecular Properties

Compound Namedecanal
PubChem CID8175
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Namedecanal
SMILESCCCCCCCCCC=O
InChIInChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3
InChIKeyKSMVZQYAVGTKIV-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.33
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 decanal?
The IUPAC name of decanal (CID 8175) is decanal.
What is the SMILES notation for decanal?
The canonical SMILES for decanal is CCCCCCCCCC=O.
What is the InChIKey of decanal?
The InChIKey is KSMVZQYAVGTKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3.
What are the key properties of decanal?
decanal has a molecular weight of 156.27 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decanal is sourced from PubChem (CID 8175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).