(1Z,3E)-1,4-dichlorobuta-1,3-diene

C4H4Cl2 — CID 6437303

IUPAC(1Z,3E)-1,4-dichlorobuta-1,3-diene
SMILESCl/C=C\C=C\Cl
InChIInChI=1S/C4H4Cl2/c5-3-1-2-4-6/h1-4H/b3-1-,4-2+
InChIKeyLDZSRRMBFGBOAE-HSFFGMMNSA-N
MW122.98 g/mol
LogP2.49
Rot. Bonds1

About (1Z,3E)-1,4-dichlorobuta-1,3-diene

(1Z,3E)-1,4-dichlorobuta-1,3-diene (PubChem CID 6437303) has the molecular formula C4H4Cl2 and a molecular weight of 122.98 g/mol. Its IUPAC name is (1Z,3E)-1,4-dichlorobuta-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-1,4-dichlorobuta-1,3-diene
PubChem CID6437303
Molecular FormulaC4H4Cl2
Molecular Weight122.98 g/mol
Exact Mass121.97
IUPAC Name(1Z,3E)-1,4-dichlorobuta-1,3-diene
SMILESCl/C=C\C=C\Cl
InChIInChI=1S/C4H4Cl2/c5-3-1-2-4-6/h1-4H/b3-1-,4-2+
InChIKeyLDZSRRMBFGBOAE-HSFFGMMNSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.98
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1,4-dichlorobuta-1,3-diene?
The IUPAC name of (1Z,3E)-1,4-dichlorobuta-1,3-diene (CID 6437303) is (1Z,3E)-1,4-dichlorobuta-1,3-diene.
What is the SMILES notation for (1Z,3E)-1,4-dichlorobuta-1,3-diene?
The canonical SMILES for (1Z,3E)-1,4-dichlorobuta-1,3-diene is Cl/C=C\C=C\Cl.
What is the InChIKey of (1Z,3E)-1,4-dichlorobuta-1,3-diene?
The InChIKey is LDZSRRMBFGBOAE-HSFFGMMNSA-N. The full InChI is InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h1-4H/b3-1-,4-2+.
What are the key properties of (1Z,3E)-1,4-dichlorobuta-1,3-diene?
(1Z,3E)-1,4-dichlorobuta-1,3-diene has a molecular weight of 122.98 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1,4-dichlorobuta-1,3-diene is sourced from PubChem (CID 6437303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).