pent-2-enedioyl dichloride

C5H4Cl2O2 — CID 54229106

IUPACpent-2-enedioyl dichloride
SMILESO=C(Cl)C=CCC(=O)Cl
InChIInChI=1S/C5H4Cl2O2/c6-4(8)2-1-3-5(7)9/h1-2H,3H2
InChIKeyQHYNHZKMXIYZSL-UHFFFAOYSA-N
MW166.99 g/mol
LogP1.46
Rot. Bonds3

About pent-2-enedioyl dichloride

pent-2-enedioyl dichloride (PubChem CID 54229106) has the molecular formula C5H4Cl2O2 and a molecular weight of 166.99 g/mol. Its IUPAC name is pent-2-enedioyl dichloride.

Molecular Properties

Compound Namepent-2-enedioyl dichloride
PubChem CID54229106
Molecular FormulaC5H4Cl2O2
Molecular Weight166.99 g/mol
Exact Mass165.96
IUPAC Namepent-2-enedioyl dichloride
SMILESO=C(Cl)C=CCC(=O)Cl
InChIInChI=1S/C5H4Cl2O2/c6-4(8)2-1-3-5(7)9/h1-2H,3H2
InChIKeyQHYNHZKMXIYZSL-UHFFFAOYSA-N
XLogP1.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.99
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pent-2-enedioyl dichloride?
The IUPAC name of pent-2-enedioyl dichloride (CID 54229106) is pent-2-enedioyl dichloride.
What is the SMILES notation for pent-2-enedioyl dichloride?
The canonical SMILES for pent-2-enedioyl dichloride is O=C(Cl)C=CCC(=O)Cl.
What is the InChIKey of pent-2-enedioyl dichloride?
The InChIKey is QHYNHZKMXIYZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2O2/c6-4(8)2-1-3-5(7)9/h1-2H,3H2.
What are the key properties of pent-2-enedioyl dichloride?
pent-2-enedioyl dichloride has a molecular weight of 166.99 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-2-enedioyl dichloride is sourced from PubChem (CID 54229106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).