(1Z)-1,2-dichlorobuta-1,3-diene

C4H4Cl2 — CID 5463151

IUPAC(1Z)-1,2-dichlorobuta-1,3-diene
SMILESC=C/C(Cl)=C/Cl
InChIInChI=1S/C4H4Cl2/c1-2-4(6)3-5/h2-3H,1H2/b4-3-
InChIKeyCRNSOGJNJXTEQG-ARJAWSKDSA-N
MW122.98 g/mol
LogP2.49
Rot. Bonds1

About (1Z)-1,2-dichlorobuta-1,3-diene

(1Z)-1,2-dichlorobuta-1,3-diene (PubChem CID 5463151) has the molecular formula C4H4Cl2 and a molecular weight of 122.98 g/mol. Its IUPAC name is (1Z)-1,2-dichlorobuta-1,3-diene.

Molecular Properties

Compound Name(1Z)-1,2-dichlorobuta-1,3-diene
PubChem CID5463151
Molecular FormulaC4H4Cl2
Molecular Weight122.98 g/mol
Exact Mass121.97
IUPAC Name(1Z)-1,2-dichlorobuta-1,3-diene
SMILESC=C/C(Cl)=C/Cl
InChIInChI=1S/C4H4Cl2/c1-2-4(6)3-5/h2-3H,1H2/b4-3-
InChIKeyCRNSOGJNJXTEQG-ARJAWSKDSA-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)-1,2-dichlorobuta-1,3-diene?
The IUPAC name of (1Z)-1,2-dichlorobuta-1,3-diene (CID 5463151) is (1Z)-1,2-dichlorobuta-1,3-diene.
What is the SMILES notation for (1Z)-1,2-dichlorobuta-1,3-diene?
The canonical SMILES for (1Z)-1,2-dichlorobuta-1,3-diene is C=C/C(Cl)=C/Cl.
What is the InChIKey of (1Z)-1,2-dichlorobuta-1,3-diene?
The InChIKey is CRNSOGJNJXTEQG-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H4Cl2/c1-2-4(6)3-5/h2-3H,1H2/b4-3-.
What are the key properties of (1Z)-1,2-dichlorobuta-1,3-diene?
(1Z)-1,2-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)-1,2-dichlorobuta-1,3-diene is sourced from PubChem (CID 5463151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).