8-methylnonanal

C10H20O — CID 14862

IUPAC8-methylnonanal
SMILESCC(C)CCCCCCC=O
InChIInChI=1S/C10H20O/c1-10(2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3
InChIKeyWDMOXLRWVGEXJV-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.18
Rot. Bonds7

About 8-methylnonanal

8-methylnonanal (PubChem CID 14862) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 8-methylnonanal.

Molecular Properties

Compound Name8-methylnonanal
PubChem CID14862
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name8-methylnonanal
SMILESCC(C)CCCCCCC=O
InChIInChI=1S/C10H20O/c1-10(2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3
InChIKeyWDMOXLRWVGEXJV-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.18
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 8-methylnonanal?
The IUPAC name of 8-methylnonanal (CID 14862) is 8-methylnonanal.
What is the SMILES notation for 8-methylnonanal?
The canonical SMILES for 8-methylnonanal is CC(C)CCCCCCC=O.
What is the InChIKey of 8-methylnonanal?
The InChIKey is WDMOXLRWVGEXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-10(2)8-6-4-3-5-7-9-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 8-methylnonanal?
8-methylnonanal has a molecular weight of 156.27 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylnonanal is sourced from PubChem (CID 14862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).