1,1-dibromo-3-methylbut-1-ene

C5H8Br2 — CID 11042470

IUPAC1,1-dibromo-3-methylbut-1-ene
SMILESCC(C)C=C(Br)Br
InChIInChI=1S/C5H8Br2/c1-4(2)3-5(6)7/h3-4H,1-2H3
InChIKeyUAXWQPNDWZBJSX-UHFFFAOYSA-N
MW227.93 g/mol
LogP3.27
Rot. Bonds1

About 1,1-dibromo-3-methylbut-1-ene

1,1-dibromo-3-methylbut-1-ene (PubChem CID 11042470) has the molecular formula C5H8Br2 and a molecular weight of 227.93 g/mol. Its IUPAC name is 1,1-dibromo-3-methylbut-1-ene.

Molecular Properties

Compound Name1,1-dibromo-3-methylbut-1-ene
PubChem CID11042470
Molecular FormulaC5H8Br2
Molecular Weight227.93 g/mol
Exact Mass225.90
IUPAC Name1,1-dibromo-3-methylbut-1-ene
SMILESCC(C)C=C(Br)Br
InChIInChI=1S/C5H8Br2/c1-4(2)3-5(6)7/h3-4H,1-2H3
InChIKeyUAXWQPNDWZBJSX-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.93
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3-methylbut-1-ene?
The IUPAC name of 1,1-dibromo-3-methylbut-1-ene (CID 11042470) is 1,1-dibromo-3-methylbut-1-ene.
What is the SMILES notation for 1,1-dibromo-3-methylbut-1-ene?
The canonical SMILES for 1,1-dibromo-3-methylbut-1-ene is CC(C)C=C(Br)Br.
What is the InChIKey of 1,1-dibromo-3-methylbut-1-ene?
The InChIKey is UAXWQPNDWZBJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2/c1-4(2)3-5(6)7/h3-4H,1-2H3.
What are the key properties of 1,1-dibromo-3-methylbut-1-ene?
1,1-dibromo-3-methylbut-1-ene has a molecular weight of 227.93 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3-methylbut-1-ene is sourced from PubChem (CID 11042470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).