(2E,4E)-hexa-2,4-dienedioyl dichloride

C6H4Cl2O2 — CID 12576380

IUPAC(2E,4E)-hexa-2,4-dienedioyl dichloride
SMILESO=C(Cl)/C=C/C=C/C(=O)Cl
InChIInChI=1S/C6H4Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H/b3-1+,4-2+
InChIKeyWLBUACIFTBBBAW-ZPUQHVIOSA-N
MW179.00 g/mol
LogP1.63
Rot. Bonds3

About (2E,4E)-hexa-2,4-dienedioyl dichloride

(2E,4E)-hexa-2,4-dienedioyl dichloride (PubChem CID 12576380) has the molecular formula C6H4Cl2O2 and a molecular weight of 179.00 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-dienedioyl dichloride.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-dienedioyl dichloride
PubChem CID12576380
Molecular FormulaC6H4Cl2O2
Molecular Weight179.00 g/mol
Exact Mass177.96
IUPAC Name(2E,4E)-hexa-2,4-dienedioyl dichloride
SMILESO=C(Cl)/C=C/C=C/C(=O)Cl
InChIInChI=1S/C6H4Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H/b3-1+,4-2+
InChIKeyWLBUACIFTBBBAW-ZPUQHVIOSA-N
XLogP1.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.00
LogP ≤ 51.63
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hexa-2,4-dienedioyl dichloride?
The IUPAC name of (2E,4E)-hexa-2,4-dienedioyl dichloride (CID 12576380) is (2E,4E)-hexa-2,4-dienedioyl dichloride.
What is the SMILES notation for (2E,4E)-hexa-2,4-dienedioyl dichloride?
The canonical SMILES for (2E,4E)-hexa-2,4-dienedioyl dichloride is O=C(Cl)/C=C/C=C/C(=O)Cl.
What is the InChIKey of (2E,4E)-hexa-2,4-dienedioyl dichloride?
The InChIKey is WLBUACIFTBBBAW-ZPUQHVIOSA-N. The full InChI is InChI=1S/C6H4Cl2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H/b3-1+,4-2+.
What are the key properties of (2E,4E)-hexa-2,4-dienedioyl dichloride?
(2E,4E)-hexa-2,4-dienedioyl dichloride has a molecular weight of 179.00 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-dienedioyl dichloride is sourced from PubChem (CID 12576380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).