1,2-dibromo-2-methylbutane

C5H10Br2 — CID 517840

IUPAC1,2-dibromo-2-methylbutane
SMILESCCC(C)(Br)CBr
InChIInChI=1S/C5H10Br2/c1-3-5(2,7)4-6/h3-4H2,1-2H3
InChIKeyGWFLFLQACQDTLD-UHFFFAOYSA-N
MW229.94 g/mol
LogP2.94
Rot. Bonds2

About 1,2-dibromo-2-methylbutane

1,2-dibromo-2-methylbutane (PubChem CID 517840) has the molecular formula C5H10Br2 and a molecular weight of 229.94 g/mol. Its IUPAC name is 1,2-dibromo-2-methylbutane.

Molecular Properties

Compound Name1,2-dibromo-2-methylbutane
PubChem CID517840
Molecular FormulaC5H10Br2
Molecular Weight229.94 g/mol
Exact Mass227.91
IUPAC Name1,2-dibromo-2-methylbutane
SMILESCCC(C)(Br)CBr
InChIInChI=1S/C5H10Br2/c1-3-5(2,7)4-6/h3-4H2,1-2H3
InChIKeyGWFLFLQACQDTLD-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.94
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-2-methylbutane?
The IUPAC name of 1,2-dibromo-2-methylbutane (CID 517840) is 1,2-dibromo-2-methylbutane.
What is the SMILES notation for 1,2-dibromo-2-methylbutane?
The canonical SMILES for 1,2-dibromo-2-methylbutane is CCC(C)(Br)CBr.
What is the InChIKey of 1,2-dibromo-2-methylbutane?
The InChIKey is GWFLFLQACQDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2/c1-3-5(2,7)4-6/h3-4H2,1-2H3.
What are the key properties of 1,2-dibromo-2-methylbutane?
1,2-dibromo-2-methylbutane has a molecular weight of 229.94 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-2-methylbutane is sourced from PubChem (CID 517840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).