1-bromo-4-methylpent-1-ene

C6H11Br — CID 72682749

IUPAC1-bromo-4-methylpent-1-ene
SMILESCC(C)CC=CBr
InChIInChI=1S/C6H11Br/c1-6(2)4-3-5-7/h3,5-6H,4H2,1-2H3
InChIKeyKLFSXIUQSXGNCP-UHFFFAOYSA-N
MW163.06 g/mol
LogP2.94
Rot. Bonds2

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

1-bromo-4-methylpent-1-ene (PubChem CID 72682749) has the molecular formula C6H11Br and a molecular weight of 163.06 g/mol. Its IUPAC name is 1-bromo-4-methylpent-1-ene.

Molecular Properties

Compound Name1-bromo-4-methylpent-1-ene
PubChem CID72682749
Molecular FormulaC6H11Br
Molecular Weight163.06 g/mol
Exact Mass162.00
IUPAC Name1-bromo-4-methylpent-1-ene
SMILESCC(C)CC=CBr
InChIInChI=1S/C6H11Br/c1-6(2)4-3-5-7/h3,5-6H,4H2,1-2H3
InChIKeyKLFSXIUQSXGNCP-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methylpent-1-ene?
The IUPAC name of 1-bromo-4-methylpent-1-ene (CID 72682749) is 1-bromo-4-methylpent-1-ene.
What is the SMILES notation for 1-bromo-4-methylpent-1-ene?
The canonical SMILES for 1-bromo-4-methylpent-1-ene is CC(C)CC=CBr.
What is the InChIKey of 1-bromo-4-methylpent-1-ene?
The InChIKey is KLFSXIUQSXGNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br/c1-6(2)4-3-5-7/h3,5-6H,4H2,1-2H3.
What are the key properties of 1-bromo-4-methylpent-1-ene?
1-bromo-4-methylpent-1-ene has a molecular weight of 163.06 g/mol, XLogP of 2.94, 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-1-ene is sourced from PubChem (CID 72682749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).