3-methylpentanoyl chloride

C6H11ClO — CID 12648279

IUPAC3-methylpentanoyl chloride
SMILESCCC(C)CC(=O)Cl
InChIInChI=1S/C6H11ClO/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3
InChIKeyOGMHLZVDKIJTMN-UHFFFAOYSA-N
MW134.61 g/mol
LogP2.19
Rot. Bonds3

About 3-methylpentanoyl chloride

3-methylpentanoyl chloride (PubChem CID 12648279) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 3-methylpentanoyl chloride.

Molecular Properties

Compound Name3-methylpentanoyl chloride
PubChem CID12648279
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name3-methylpentanoyl chloride
SMILESCCC(C)CC(=O)Cl
InChIInChI=1S/C6H11ClO/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3
InChIKeyOGMHLZVDKIJTMN-UHFFFAOYSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylpentanoyl chloride?
The IUPAC name of 3-methylpentanoyl chloride (CID 12648279) is 3-methylpentanoyl chloride.
What is the SMILES notation for 3-methylpentanoyl chloride?
The canonical SMILES for 3-methylpentanoyl chloride is CCC(C)CC(=O)Cl.
What is the InChIKey of 3-methylpentanoyl chloride?
The InChIKey is OGMHLZVDKIJTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3.
What are the key properties of 3-methylpentanoyl chloride?
3-methylpentanoyl chloride has a molecular weight of 134.61 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentanoyl chloride is sourced from PubChem (CID 12648279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).