2-methyloctanal

C9H18O — CID 24583

IUPAC2-methyloctanal
SMILESCCCCCCC(C)C=O
InChIInChI=1S/C9H18O/c1-3-4-5-6-7-9(2)8-10/h8-9H,3-7H2,1-2H3
InChIKeyZKPFRIDJMMOODR-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.79
Rot. Bonds6

About 2-methyloctanal

2-methyloctanal (PubChem CID 24583) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyloctanal.

Molecular Properties

Compound Name2-methyloctanal
PubChem CID24583
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyloctanal
SMILESCCCCCCC(C)C=O
InChIInChI=1S/C9H18O/c1-3-4-5-6-7-9(2)8-10/h8-9H,3-7H2,1-2H3
InChIKeyZKPFRIDJMMOODR-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.79
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 2-methyloctanal 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
2-Ethylhexanal
CID 31241
Undecanal
CID 8186
2-Methylundecanal
CID 61031
Pentadecanal
CID 17697
3,7-Dimethyloctanal
CID 110747
Tridecanal
CID 25311
12-Methyltridecanal
CID 3018619

Frequently Asked Questions

What is the IUPAC name of 2-methyloctanal?
The IUPAC name of 2-methyloctanal (CID 24583) is 2-methyloctanal.
What is the SMILES notation for 2-methyloctanal?
The canonical SMILES for 2-methyloctanal is CCCCCCC(C)C=O.
What is the InChIKey of 2-methyloctanal?
The InChIKey is ZKPFRIDJMMOODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-6-7-9(2)8-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methyloctanal?
2-methyloctanal has a molecular weight of 142.24 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctanal is sourced from PubChem (CID 24583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).