(1Z,3Z)-1,4-dibromobuta-1,3-diene

C4H4Br2 — CID 153412692

IUPAC(1Z,3Z)-1,4-dibromobuta-1,3-diene
SMILESBr/C=C\C=C/Br
InChIInChI=1S/C4H4Br2/c5-3-1-2-4-6/h1-4H/b3-1-,4-2-
InChIKeyJVAUNSRALVFKNX-CCAGOZQPSA-N
MW211.88 g/mol
LogP2.80
Rot. Bonds1

About (1Z,3Z)-1,4-dibromobuta-1,3-diene

(1Z,3Z)-1,4-dibromobuta-1,3-diene (PubChem CID 153412692) has the molecular formula C4H4Br2 and a molecular weight of 211.88 g/mol. Its IUPAC name is (1Z,3Z)-1,4-dibromobuta-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z)-1,4-dibromobuta-1,3-diene
PubChem CID153412692
Molecular FormulaC4H4Br2
Molecular Weight211.88 g/mol
Exact Mass209.87
IUPAC Name(1Z,3Z)-1,4-dibromobuta-1,3-diene
SMILESBr/C=C\C=C/Br
InChIInChI=1S/C4H4Br2/c5-3-1-2-4-6/h1-4H/b3-1-,4-2-
InChIKeyJVAUNSRALVFKNX-CCAGOZQPSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.88
LogP ≤ 52.80
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,3Z)-1,4-dibromobuta-1,3-diene?
The IUPAC name of (1Z,3Z)-1,4-dibromobuta-1,3-diene (CID 153412692) is (1Z,3Z)-1,4-dibromobuta-1,3-diene.
What is the SMILES notation for (1Z,3Z)-1,4-dibromobuta-1,3-diene?
The canonical SMILES for (1Z,3Z)-1,4-dibromobuta-1,3-diene is Br/C=C\C=C/Br.
What is the InChIKey of (1Z,3Z)-1,4-dibromobuta-1,3-diene?
The InChIKey is JVAUNSRALVFKNX-CCAGOZQPSA-N. The full InChI is InChI=1S/C4H4Br2/c5-3-1-2-4-6/h1-4H/b3-1-,4-2-.
What are the key properties of (1Z,3Z)-1,4-dibromobuta-1,3-diene?
(1Z,3Z)-1,4-dibromobuta-1,3-diene has a molecular weight of 211.88 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1,4-dibromobuta-1,3-diene is sourced from PubChem (CID 153412692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).