1-bromo-2-methylpropane

C4H9Br — CID 6555

IUPAC1-bromo-2-methylpropane
SMILESCC(C)CBr
InChIInChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKeyHLVFKOKELQSXIQ-UHFFFAOYSA-N
MW137.02 g/mol
LogP2.04
Rot. Bonds1

About 1-bromo-2-methylpropane

1-bromo-2-methylpropane (PubChem CID 6555) has the molecular formula C4H9Br and a molecular weight of 137.02 g/mol. Its IUPAC name is 1-bromo-2-methylpropane.

Molecular Properties

Compound Name1-bromo-2-methylpropane
PubChem CID6555
Molecular FormulaC4H9Br
Molecular Weight137.02 g/mol
Exact Mass135.99
IUPAC Name1-bromo-2-methylpropane
SMILESCC(C)CBr
InChIInChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKeyHLVFKOKELQSXIQ-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.02
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Butyl bromide
CID 8002
1-Bromo-3-methylbutane
CID 7891
1-Bromo-2,2-dimethylpropane
CID 12415
1-Bromo-2-methylbutane
CID 25254
1-Bromo-2-methylbutane, (+)-
CID 5464167
1,1-Dibromo-2-methylpropane
CID 11663
1,3-Dibromoisobutane
CID 141399
2-Bromo-3-methylbutane
CID 529978
1-Bromo-2-methylbutane, (-)-
CID 68293
1-Bromobutane-D9
CID 12236149
1,4-Dibromo-2-methylbutane
CID 143172
1,1,3-Tribromo-2-methylpropane
CID 13074958

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methylpropane?
The IUPAC name of 1-bromo-2-methylpropane (CID 6555) is 1-bromo-2-methylpropane.
What is the SMILES notation for 1-bromo-2-methylpropane?
The canonical SMILES for 1-bromo-2-methylpropane is CC(C)CBr.
What is the InChIKey of 1-bromo-2-methylpropane?
The InChIKey is HLVFKOKELQSXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3.
What are the key properties of 1-bromo-2-methylpropane?
1-bromo-2-methylpropane has a molecular weight of 137.02 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylpropane is sourced from PubChem (CID 6555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).