3-(bromomethyl)-2,2,4,5-tetramethylhexane

C11H23Br — CID 165443368

IUPAC3-(bromomethyl)-2,2,4,5-tetramethylhexane
SMILESCC(C)C(C)C(CBr)C(C)(C)C
InChIInChI=1S/C11H23Br/c1-8(2)9(3)10(7-12)11(4,5)6/h8-10H,7H2,1-6H3
InChIKeyUWKQUNKGGIRXNG-UHFFFAOYSA-N
MW235.21 g/mol
LogP4.34
Rot. Bonds3

About 3-(bromomethyl)-2,2,4,5-tetramethylhexane

3-(bromomethyl)-2,2,4,5-tetramethylhexane (PubChem CID 165443368) has the molecular formula C11H23Br and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-(bromomethyl)-2,2,4,5-tetramethylhexane.

Molecular Properties

Compound Name3-(bromomethyl)-2,2,4,5-tetramethylhexane
PubChem CID165443368
Molecular FormulaC11H23Br
Molecular Weight235.21 g/mol
Exact Mass234.10
IUPAC Name3-(bromomethyl)-2,2,4,5-tetramethylhexane
SMILESCC(C)C(C)C(CBr)C(C)(C)C
InChIInChI=1S/C11H23Br/c1-8(2)9(3)10(7-12)11(4,5)6/h8-10H,7H2,1-6H3
InChIKeyUWKQUNKGGIRXNG-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 54.34
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 3-(bromomethyl)-2,2,4,5-tetramethylhexane?
The IUPAC name of 3-(bromomethyl)-2,2,4,5-tetramethylhexane (CID 165443368) is 3-(bromomethyl)-2,2,4,5-tetramethylhexane.
What is the SMILES notation for 3-(bromomethyl)-2,2,4,5-tetramethylhexane?
The canonical SMILES for 3-(bromomethyl)-2,2,4,5-tetramethylhexane is CC(C)C(C)C(CBr)C(C)(C)C.
What is the InChIKey of 3-(bromomethyl)-2,2,4,5-tetramethylhexane?
The InChIKey is UWKQUNKGGIRXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23Br/c1-8(2)9(3)10(7-12)11(4,5)6/h8-10H,7H2,1-6H3.
What are the key properties of 3-(bromomethyl)-2,2,4,5-tetramethylhexane?
3-(bromomethyl)-2,2,4,5-tetramethylhexane has a molecular weight of 235.21 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2,2,4,5-tetramethylhexane is sourced from PubChem (CID 165443368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).