1-bromo-4-methylpent-2-ene

C6H11Br — CID 71375147

IUPAC1-bromo-4-methylpent-2-ene
SMILESCC(C)C=CCBr
InChIInChI=1S/C6H11Br/c1-6(2)4-3-5-7/h3-4,6H,5H2,1-2H3
InChIKeyQNJFJRMDXIBMKU-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.59
Rot. Bonds2

About 1-bromo-4-methylpent-2-ene

1-bromo-4-methylpent-2-ene (PubChem CID 71375147) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 1-bromo-4-methylpent-2-ene.

Molecular Properties

Compound Name1-bromo-4-methylpent-2-ene
PubChem CID71375147
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name1-bromo-4-methylpent-2-ene
SMILESCC(C)C=CCBr
InChIInChI=1S/C6H11Br/c1-6(2)4-3-5-7/h3-4,6H,5H2,1-2H3
InChIKeyQNJFJRMDXIBMKU-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methylpent-2-ene?
The IUPAC name of 1-bromo-4-methylpent-2-ene (CID 71375147) is 1-bromo-4-methylpent-2-ene.
What is the SMILES notation for 1-bromo-4-methylpent-2-ene?
The canonical SMILES for 1-bromo-4-methylpent-2-ene is CC(C)C=CCBr.
What is the InChIKey of 1-bromo-4-methylpent-2-ene?
The InChIKey is QNJFJRMDXIBMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-6(2)4-3-5-7/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-bromo-4-methylpent-2-ene?
1-bromo-4-methylpent-2-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 1-bromo-4-methylpent-2-ene is sourced from PubChem (CID 71375147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).