hex-4-enoyl chloride

C6H9ClO — CID 54191606

IUPAChex-4-enoyl chloride
SMILESCC=CCCC(=O)Cl
InChIInChI=1S/C6H9ClO/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3
InChIKeyPIXBVQFCTGBRHV-UHFFFAOYSA-N
MW132.59 g/mol
LogP2.11
Rot. Bonds3

About hex-4-enoyl chloride

hex-4-enoyl chloride (PubChem CID 54191606) has the molecular formula C6H9ClO and a molecular weight of 132.59 g/mol. Its IUPAC name is hex-4-enoyl chloride.

Molecular Properties

Compound Namehex-4-enoyl chloride
PubChem CID54191606
Molecular FormulaC6H9ClO
Molecular Weight132.59 g/mol
Exact Mass132.03
IUPAC Namehex-4-enoyl chloride
SMILESCC=CCCC(=O)Cl
InChIInChI=1S/C6H9ClO/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3
InChIKeyPIXBVQFCTGBRHV-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hex-4-enoyl chloride?
The IUPAC name of hex-4-enoyl chloride (CID 54191606) is hex-4-enoyl chloride.
What is the SMILES notation for hex-4-enoyl chloride?
The canonical SMILES for hex-4-enoyl chloride is CC=CCCC(=O)Cl.
What is the InChIKey of hex-4-enoyl chloride?
The InChIKey is PIXBVQFCTGBRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3.
What are the key properties of hex-4-enoyl chloride?
hex-4-enoyl chloride has a molecular weight of 132.59 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-4-enoyl chloride is sourced from PubChem (CID 54191606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).