decanedial

C10H18O2 — CID 3016433

IUPACdecanedial
SMILESO=CCCCCCCCCC=O
InChIInChI=1S/C10H18O2/c11-9-7-5-3-1-2-4-6-8-10-12/h9-10H,1-8H2
InChIKeyZNWNWEHQFXOPGK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.51
Rot. Bonds9

About decanedial

decanedial (PubChem CID 3016433) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is decanedial.

Molecular Properties

Compound Namedecanedial
PubChem CID3016433
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namedecanedial
SMILESO=CCCCCCCCCC=O
InChIInChI=1S/C10H18O2/c11-9-7-5-3-1-2-4-6-8-10-12/h9-10H,1-8H2
InChIKeyZNWNWEHQFXOPGK-UHFFFAOYSA-N
XLogP2.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 decanedial?
The IUPAC name of decanedial (CID 3016433) is decanedial.
What is the SMILES notation for decanedial?
The canonical SMILES for decanedial is O=CCCCCCCCCC=O.
What is the InChIKey of decanedial?
The InChIKey is ZNWNWEHQFXOPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c11-9-7-5-3-1-2-4-6-8-10-12/h9-10H,1-8H2.
What are the key properties of decanedial?
decanedial has a molecular weight of 170.25 g/mol, XLogP of 2.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanedial is sourced from PubChem (CID 3016433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).