1-bromo-3-methylbutane

C5H11Br — CID 7891

IUPAC1-bromo-3-methylbutane
SMILESCC(C)CCBr
InChIInChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
InChIKeyYXZFFTJAHVMMLF-UHFFFAOYSA-N
MW151.05 g/mol
LogP2.43
Rot. Bonds2

About 1-bromo-3-methylbutane

1-bromo-3-methylbutane (PubChem CID 7891) has the molecular formula C5H11Br and a molecular weight of 151.05 g/mol. Its IUPAC name is 1-bromo-3-methylbutane.

Molecular Properties

Compound Name1-bromo-3-methylbutane
PubChem CID7891
Molecular FormulaC5H11Br
Molecular Weight151.05 g/mol
Exact Mass150.00
IUPAC Name1-bromo-3-methylbutane
SMILESCC(C)CCBr
InChIInChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
InChIKeyYXZFFTJAHVMMLF-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.05
LogP ≤ 52.43
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

1-Bromo-2-methylpropane
CID 6555
1-Bromo-2-methylbutane
CID 25254
Pentane, 1-bromo-4-methyl-
CID 69385
Pentane, 3-(bromomethyl)-
CID 77432
1-Bromo-2-methylpentane
CID 91416
2-Bromo-4-methylpentane
CID 121776
1-Bromo-2-methylbutane, (+)-
CID 5464167
1-Bromo-3-methylpentane
CID 39899
1,1-Dibromo-2-methylpropane
CID 11663
1,3-Dibromoisobutane
CID 141399
2-Bromo-3-methylbutane
CID 529978
1,5-Dibromo-3-methylpentane
CID 138258

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methylbutane?
The IUPAC name of 1-bromo-3-methylbutane (CID 7891) is 1-bromo-3-methylbutane.
What is the SMILES notation for 1-bromo-3-methylbutane?
The canonical SMILES for 1-bromo-3-methylbutane is CC(C)CCBr.
What is the InChIKey of 1-bromo-3-methylbutane?
The InChIKey is YXZFFTJAHVMMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3.
What are the key properties of 1-bromo-3-methylbutane?
1-bromo-3-methylbutane has a molecular weight of 151.05 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methylbutane is sourced from PubChem (CID 7891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).