1,1-dibromo-4-methylpenta-1,2-diene

C6H8Br2 — CID 134921783

IUPAC1,1-dibromo-4-methylpenta-1,2-diene
SMILESCC(C)C=C=C(Br)Br
InChIInChI=1S/C6H8Br2/c1-5(2)3-4-6(7)8/h3,5H,1-2H3
InChIKeyVJNSPXYOKWECKM-UHFFFAOYSA-N
MW239.94 g/mol
LogP3.43
Rot. Bonds1

About 1,1-dibromo-4-methylpenta-1,2-diene

1,1-dibromo-4-methylpenta-1,2-diene (PubChem CID 134921783) has the molecular formula C6H8Br2 and a molecular weight of 239.94 g/mol. Its IUPAC name is 1,1-dibromo-4-methylpenta-1,2-diene.

Molecular Properties

Compound Name1,1-dibromo-4-methylpenta-1,2-diene
PubChem CID134921783
Molecular FormulaC6H8Br2
Molecular Weight239.94 g/mol
Exact Mass237.90
IUPAC Name1,1-dibromo-4-methylpenta-1,2-diene
SMILESCC(C)C=C=C(Br)Br
InChIInChI=1S/C6H8Br2/c1-5(2)3-4-6(7)8/h3,5H,1-2H3
InChIKeyVJNSPXYOKWECKM-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-4-methylpenta-1,2-diene?
The IUPAC name of 1,1-dibromo-4-methylpenta-1,2-diene (CID 134921783) is 1,1-dibromo-4-methylpenta-1,2-diene.
What is the SMILES notation for 1,1-dibromo-4-methylpenta-1,2-diene?
The canonical SMILES for 1,1-dibromo-4-methylpenta-1,2-diene is CC(C)C=C=C(Br)Br.
What is the InChIKey of 1,1-dibromo-4-methylpenta-1,2-diene?
The InChIKey is VJNSPXYOKWECKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2/c1-5(2)3-4-6(7)8/h3,5H,1-2H3.
What are the key properties of 1,1-dibromo-4-methylpenta-1,2-diene?
1,1-dibromo-4-methylpenta-1,2-diene has a molecular weight of 239.94 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-4-methylpenta-1,2-diene is sourced from PubChem (CID 134921783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).