5-chloro-2-methylpentanal

C6H11ClO — CID 15930258

IUPAC5-chloro-2-methylpentanal
SMILESCC(C=O)CCCCl
InChIInChI=1S/C6H11ClO/c1-6(5-8)3-2-4-7/h5-6H,2-4H2,1H3
InChIKeyKGLZQNRLHNPKNX-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.84
Rot. Bonds4

About 5-chloro-2-methylpentanal

5-chloro-2-methylpentanal (PubChem CID 15930258) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 5-chloro-2-methylpentanal.

Molecular Properties

Compound Name5-chloro-2-methylpentanal
PubChem CID15930258
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name5-chloro-2-methylpentanal
SMILESCC(C=O)CCCCl
InChIInChI=1S/C6H11ClO/c1-6(5-8)3-2-4-7/h5-6H,2-4H2,1H3
InChIKeyKGLZQNRLHNPKNX-UHFFFAOYSA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-2-methylpentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpentanal?
The IUPAC name of 5-chloro-2-methylpentanal (CID 15930258) is 5-chloro-2-methylpentanal.
What is the SMILES notation for 5-chloro-2-methylpentanal?
The canonical SMILES for 5-chloro-2-methylpentanal is CC(C=O)CCCCl.
What is the InChIKey of 5-chloro-2-methylpentanal?
The InChIKey is KGLZQNRLHNPKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-6(5-8)3-2-4-7/h5-6H,2-4H2,1H3.
What are the key properties of 5-chloro-2-methylpentanal?
5-chloro-2-methylpentanal has a molecular weight of 134.61 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylpentanal is sourced from PubChem (CID 15930258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).