2-methylpentanal;propanal

C9H18O2 — CID 23460116

IUPAC2-methylpentanal;propanal
SMILESCCC=O.CCCC(C)C=O
InChIInChI=1S/C6H12O.C3H6O/c1-3-4-6(2)5-7;1-2-3-4/h5-6H,3-4H2,1-2H3;3H,2H2,1H3
InChIKeyCYSFIQUGSMEHLX-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.22
Rot. Bonds4

About 2-methylpentanal;propanal

2-methylpentanal;propanal (PubChem CID 23460116) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methylpentanal;propanal.

Molecular Properties

Compound Name2-methylpentanal;propanal
PubChem CID23460116
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methylpentanal;propanal
SMILESCCC=O.CCCC(C)C=O
InChIInChI=1S/C6H12O.C3H6O/c1-3-4-6(2)5-7;1-2-3-4/h5-6H,3-4H2,1-2H3;3H,2H2,1H3
InChIKeyCYSFIQUGSMEHLX-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentanal;propanal?
The IUPAC name of 2-methylpentanal;propanal (CID 23460116) is 2-methylpentanal;propanal.
What is the SMILES notation for 2-methylpentanal;propanal?
The canonical SMILES for 2-methylpentanal;propanal is CCC=O.CCCC(C)C=O.
What is the InChIKey of 2-methylpentanal;propanal?
The InChIKey is CYSFIQUGSMEHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C3H6O/c1-3-4-6(2)5-7;1-2-3-4/h5-6H,3-4H2,1-2H3;3H,2H2,1H3.
What are the key properties of 2-methylpentanal;propanal?
2-methylpentanal;propanal has a molecular weight of 158.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentanal;propanal is sourced from PubChem (CID 23460116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).