5-bromo-2-methylpent-1-ene

C6H11Br — CID 11789538

IUPAC5-bromo-2-methylpent-1-ene
SMILESC=C(C)CCCBr
InChIInChI=1S/C6H11Br/c1-6(2)4-3-5-7/h1,3-5H2,2H3
InChIKeyMNDPGMGRNPDFCC-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.74
Rot. Bonds3

About 5-bromo-2-methylpent-1-ene

5-bromo-2-methylpent-1-ene (PubChem CID 11789538) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 5-bromo-2-methylpent-1-ene.

Molecular Properties

Compound Name5-bromo-2-methylpent-1-ene
PubChem CID11789538
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name5-bromo-2-methylpent-1-ene
SMILESC=C(C)CCCBr
InChIInChI=1S/C6H11Br/c1-6(2)4-3-5-7/h1,3-5H2,2H3
InChIKeyMNDPGMGRNPDFCC-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.06
LogP ≤ 52.74
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 5-bromo-2-methylpent-1-ene?
The IUPAC name of 5-bromo-2-methylpent-1-ene (CID 11789538) is 5-bromo-2-methylpent-1-ene.
What is the SMILES notation for 5-bromo-2-methylpent-1-ene?
The canonical SMILES for 5-bromo-2-methylpent-1-ene is C=C(C)CCCBr.
What is the InChIKey of 5-bromo-2-methylpent-1-ene?
The InChIKey is MNDPGMGRNPDFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-6(2)4-3-5-7/h1,3-5H2,2H3.
What are the key properties of 5-bromo-2-methylpent-1-ene?
5-bromo-2-methylpent-1-ene has a molecular weight of 163.06 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylpent-1-ene is sourced from PubChem (CID 11789538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).