(Z)-hept-4-enoyl chloride

C7H11ClO — CID 11309587

IUPAC(Z)-hept-4-enoyl chloride
SMILESCC/C=C\CCC(=O)Cl
InChIInChI=1S/C7H11ClO/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3/b4-3-
InChIKeyXBXOEGBJQSPGKG-ARJAWSKDSA-N
MW146.62 g/mol
LogP2.50
Rot. Bonds4

About (Z)-hept-4-enoyl chloride

(Z)-hept-4-enoyl chloride (PubChem CID 11309587) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is (Z)-hept-4-enoyl chloride.

Molecular Properties

Compound Name(Z)-hept-4-enoyl chloride
PubChem CID11309587
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name(Z)-hept-4-enoyl chloride
SMILESCC/C=C\CCC(=O)Cl
InChIInChI=1S/C7H11ClO/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3/b4-3-
InChIKeyXBXOEGBJQSPGKG-ARJAWSKDSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 52.50
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 (Z)-hept-4-enoyl chloride?
The IUPAC name of (Z)-hept-4-enoyl chloride (CID 11309587) is (Z)-hept-4-enoyl chloride.
What is the SMILES notation for (Z)-hept-4-enoyl chloride?
The canonical SMILES for (Z)-hept-4-enoyl chloride is CC/C=C\CCC(=O)Cl.
What is the InChIKey of (Z)-hept-4-enoyl chloride?
The InChIKey is XBXOEGBJQSPGKG-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H11ClO/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3/b4-3-.
What are the key properties of (Z)-hept-4-enoyl chloride?
(Z)-hept-4-enoyl chloride has a molecular weight of 146.62 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hept-4-enoyl chloride is sourced from PubChem (CID 11309587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).