(1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene

C6H8Br2 — CID 88705103

IUPAC(1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene
SMILESC/C=C(Br)/C(C)=C/Br
InChIInChI=1S/C6H8Br2/c1-3-6(8)5(2)4-7/h3-4H,1-2H3/b5-4+,6-3-
InChIKeyAIUXFDGAMNRPSC-FQYFJTKBSA-N
MW239.94 g/mol
LogP3.58
Rot. Bonds1

About (1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene

(1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene (PubChem CID 88705103) has the molecular formula C6H8Br2 and a molecular weight of 239.94 g/mol. Its IUPAC name is (1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene
PubChem CID88705103
Molecular FormulaC6H8Br2
Molecular Weight239.94 g/mol
Exact Mass237.90
IUPAC Name(1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene
SMILESC/C=C(Br)/C(C)=C/Br
InChIInChI=1S/C6H8Br2/c1-3-6(8)5(2)4-7/h3-4H,1-2H3/b5-4+,6-3-
InChIKeyAIUXFDGAMNRPSC-FQYFJTKBSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.94
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene?
The IUPAC name of (1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene (CID 88705103) is (1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene.
What is the SMILES notation for (1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene?
The canonical SMILES for (1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene is C/C=C(Br)/C(C)=C/Br.
What is the InChIKey of (1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene?
The InChIKey is AIUXFDGAMNRPSC-FQYFJTKBSA-N. The full InChI is InChI=1S/C6H8Br2/c1-3-6(8)5(2)4-7/h3-4H,1-2H3/b5-4+,6-3-.
What are the key properties of (1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene?
(1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene has a molecular weight of 239.94 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1,3-dibromo-2-methylpenta-1,3-diene is sourced from PubChem (CID 88705103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).