1,2,2,4-tetrabromopentane

C5H8Br4 — CID 102586399

IUPAC1,2,2,4-tetrabromopentane
SMILESCC(Br)CC(Br)(Br)CBr
InChIInChI=1S/C5H8Br4/c1-4(7)2-5(8,9)3-6/h4H,2-3H2,1H3
InChIKeyMAIQMXKTNMRXGK-UHFFFAOYSA-N
MW387.74 g/mol
LogP4.04
Rot. Bonds3

About 1,2,2,4-tetrabromopentane

1,2,2,4-tetrabromopentane (PubChem CID 102586399) has the molecular formula C5H8Br4 and a molecular weight of 387.74 g/mol. Its IUPAC name is 1,2,2,4-tetrabromopentane.

Molecular Properties

Compound Name1,2,2,4-tetrabromopentane
PubChem CID102586399
Molecular FormulaC5H8Br4
Molecular Weight387.74 g/mol
Exact Mass383.74
IUPAC Name1,2,2,4-tetrabromopentane
SMILESCC(Br)CC(Br)(Br)CBr
InChIInChI=1S/C5H8Br4/c1-4(7)2-5(8,9)3-6/h4H,2-3H2,1H3
InChIKeyMAIQMXKTNMRXGK-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.74
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,4-tetrabromopentane?
The IUPAC name of 1,2,2,4-tetrabromopentane (CID 102586399) is 1,2,2,4-tetrabromopentane.
What is the SMILES notation for 1,2,2,4-tetrabromopentane?
The canonical SMILES for 1,2,2,4-tetrabromopentane is CC(Br)CC(Br)(Br)CBr.
What is the InChIKey of 1,2,2,4-tetrabromopentane?
The InChIKey is MAIQMXKTNMRXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br4/c1-4(7)2-5(8,9)3-6/h4H,2-3H2,1H3.
What are the key properties of 1,2,2,4-tetrabromopentane?
1,2,2,4-tetrabromopentane has a molecular weight of 387.74 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,4-tetrabromopentane is sourced from PubChem (CID 102586399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).