2-(bromomethyl)-3-methylbut-1-ene

C6H11Br — CID 11286635

IUPAC2-(bromomethyl)-3-methylbut-1-ene
SMILESC=C(CBr)C(C)C
InChIInChI=1S/C6H11Br/c1-5(2)6(3)4-7/h5H,3-4H2,1-2H3
InChIKeyZODGKVNNDFRQMS-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.59
Rot. Bonds2

About 2-(bromomethyl)-3-methylbut-1-ene

2-(bromomethyl)-3-methylbut-1-ene (PubChem CID 11286635) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methylbut-1-ene.

Molecular Properties

Compound Name2-(bromomethyl)-3-methylbut-1-ene
PubChem CID11286635
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name2-(bromomethyl)-3-methylbut-1-ene
SMILESC=C(CBr)C(C)C
InChIInChI=1S/C6H11Br/c1-5(2)6(3)4-7/h5H,3-4H2,1-2H3
InChIKeyZODGKVNNDFRQMS-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.06
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-3-methylbut-1-ene 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 2-(bromomethyl)-3-methylbut-1-ene?
The IUPAC name of 2-(bromomethyl)-3-methylbut-1-ene (CID 11286635) is 2-(bromomethyl)-3-methylbut-1-ene.
What is the SMILES notation for 2-(bromomethyl)-3-methylbut-1-ene?
The canonical SMILES for 2-(bromomethyl)-3-methylbut-1-ene is C=C(CBr)C(C)C.
What is the InChIKey of 2-(bromomethyl)-3-methylbut-1-ene?
The InChIKey is ZODGKVNNDFRQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-5(2)6(3)4-7/h5H,3-4H2,1-2H3.
What are the key properties of 2-(bromomethyl)-3-methylbut-1-ene?
2-(bromomethyl)-3-methylbut-1-ene has a molecular weight of 163.06 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methylbut-1-ene is sourced from PubChem (CID 11286635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).