2,3-dibromo-3-(bromomethyl)pentane

C6H11Br3 — CID 134934066

IUPAC2,3-dibromo-3-(bromomethyl)pentane
SMILESCCC(Br)(CBr)C(C)Br
InChIInChI=1S/C6H11Br3/c1-3-6(9,4-7)5(2)8/h5H,3-4H2,1-2H3
InChIKeyGHMXFBAQISLWFQ-UHFFFAOYSA-N
MW322.87 g/mol
LogP3.71
Rot. Bonds3

About 2,3-dibromo-3-(bromomethyl)pentane

2,3-dibromo-3-(bromomethyl)pentane (PubChem CID 134934066) has the molecular formula C6H11Br3 and a molecular weight of 322.87 g/mol. Its IUPAC name is 2,3-dibromo-3-(bromomethyl)pentane.

Molecular Properties

Compound Name2,3-dibromo-3-(bromomethyl)pentane
PubChem CID134934066
Molecular FormulaC6H11Br3
Molecular Weight322.87 g/mol
Exact Mass319.84
IUPAC Name2,3-dibromo-3-(bromomethyl)pentane
SMILESCCC(Br)(CBr)C(C)Br
InChIInChI=1S/C6H11Br3/c1-3-6(9,4-7)5(2)8/h5H,3-4H2,1-2H3
InChIKeyGHMXFBAQISLWFQ-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.87
LogP ≤ 53.71
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 2,3-dibromo-3-(bromomethyl)pentane?
The IUPAC name of 2,3-dibromo-3-(bromomethyl)pentane (CID 134934066) is 2,3-dibromo-3-(bromomethyl)pentane.
What is the SMILES notation for 2,3-dibromo-3-(bromomethyl)pentane?
The canonical SMILES for 2,3-dibromo-3-(bromomethyl)pentane is CCC(Br)(CBr)C(C)Br.
What is the InChIKey of 2,3-dibromo-3-(bromomethyl)pentane?
The InChIKey is GHMXFBAQISLWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br3/c1-3-6(9,4-7)5(2)8/h5H,3-4H2,1-2H3.
What are the key properties of 2,3-dibromo-3-(bromomethyl)pentane?
2,3-dibromo-3-(bromomethyl)pentane has a molecular weight of 322.87 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-3-(bromomethyl)pentane is sourced from PubChem (CID 134934066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).