1,5-dibromopentane

C5H10Br2 — CID 8100

IUPAC1,5-dibromopentane
SMILESBrCCCCCBr
InChIInChI=1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2
InChIKeyIBODDUNKEPPBKW-UHFFFAOYSA-N
MW229.94 g/mol
LogP2.95
Rot. Bonds4

About 1,5-dibromopentane

1,5-dibromopentane (PubChem CID 8100) has the molecular formula C5H10Br2 and a molecular weight of 229.94 g/mol. Its IUPAC name is 1,5-dibromopentane.

Molecular Properties

Compound Name1,5-dibromopentane
PubChem CID8100
Molecular FormulaC5H10Br2
Molecular Weight229.94 g/mol
Exact Mass227.91
IUPAC Name1,5-dibromopentane
SMILESBrCCCCCBr
InChIInChI=1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2
InChIKeyIBODDUNKEPPBKW-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.94
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromopentane?
The IUPAC name of 1,5-dibromopentane (CID 8100) is 1,5-dibromopentane.
What is the SMILES notation for 1,5-dibromopentane?
The canonical SMILES for 1,5-dibromopentane is BrCCCCCBr.
What is the InChIKey of 1,5-dibromopentane?
The InChIKey is IBODDUNKEPPBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Br2/c6-4-2-1-3-5-7/h1-5H2.
What are the key properties of 1,5-dibromopentane?
1,5-dibromopentane has a molecular weight of 229.94 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromopentane is sourced from PubChem (CID 8100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).