1-bromo-2,2-dimethylpropane

C5H11Br — CID 12415

IUPAC1-bromo-2,2-dimethylpropane
SMILESCC(C)(C)CBr
InChIInChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3
InChIKeyCQWYAXCOVZKLHY-UHFFFAOYSA-N
MW151.05 g/mol
LogP2.43
Rot. Bonds

About 1-bromo-2,2-dimethylpropane

1-bromo-2,2-dimethylpropane (PubChem CID 12415) has the molecular formula C5H11Br and a molecular weight of 151.05 g/mol. Its IUPAC name is 1-bromo-2,2-dimethylpropane.

Molecular Properties

Compound Name1-bromo-2,2-dimethylpropane
PubChem CID12415
Molecular FormulaC5H11Br
Molecular Weight151.05 g/mol
Exact Mass150.00
IUPAC Name1-bromo-2,2-dimethylpropane
SMILESCC(C)(C)CBr
InChIInChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3
InChIKeyCQWYAXCOVZKLHY-UHFFFAOYSA-N
XLogP2.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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'}

Analyze 1-bromo-2,2-dimethylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,2-dimethylpropane?
The IUPAC name of 1-bromo-2,2-dimethylpropane (CID 12415) is 1-bromo-2,2-dimethylpropane.
What is the SMILES notation for 1-bromo-2,2-dimethylpropane?
The canonical SMILES for 1-bromo-2,2-dimethylpropane is CC(C)(C)CBr.
What is the InChIKey of 1-bromo-2,2-dimethylpropane?
The InChIKey is CQWYAXCOVZKLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3.
What are the key properties of 1-bromo-2,2-dimethylpropane?
1-bromo-2,2-dimethylpropane has a molecular weight of 151.05 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,2-dimethylpropane is sourced from PubChem (CID 12415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).