3-(bromomethyl)-2,2,4-trimethylpentane

C9H19Br — CID 83142537

IUPAC3-(bromomethyl)-2,2,4-trimethylpentane
SMILESCC(C)C(CBr)C(C)(C)C
InChIInChI=1S/C9H19Br/c1-7(2)8(6-10)9(3,4)5/h7-8H,6H2,1-5H3
InChIKeyYJTBJSXELNVQNG-UHFFFAOYSA-N
MW207.15 g/mol
LogP3.70
Rot. Bonds2

About 3-(bromomethyl)-2,2,4-trimethylpentane

3-(bromomethyl)-2,2,4-trimethylpentane (PubChem CID 83142537) has the molecular formula C9H19Br and a molecular weight of 207.15 g/mol. Its IUPAC name is 3-(bromomethyl)-2,2,4-trimethylpentane.

Molecular Properties

Compound Name3-(bromomethyl)-2,2,4-trimethylpentane
PubChem CID83142537
Molecular FormulaC9H19Br
Molecular Weight207.15 g/mol
Exact Mass206.07
IUPAC Name3-(bromomethyl)-2,2,4-trimethylpentane
SMILESCC(C)C(CBr)C(C)(C)C
InChIInChI=1S/C9H19Br/c1-7(2)8(6-10)9(3,4)5/h7-8H,6H2,1-5H3
InChIKeyYJTBJSXELNVQNG-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 53.70
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-trimethylpentane?
The IUPAC name of 3-(bromomethyl)-2,2,4-trimethylpentane (CID 83142537) is 3-(bromomethyl)-2,2,4-trimethylpentane.
What is the SMILES notation for 3-(bromomethyl)-2,2,4-trimethylpentane?
The canonical SMILES for 3-(bromomethyl)-2,2,4-trimethylpentane is CC(C)C(CBr)C(C)(C)C.
What is the InChIKey of 3-(bromomethyl)-2,2,4-trimethylpentane?
The InChIKey is YJTBJSXELNVQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Br/c1-7(2)8(6-10)9(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 3-(bromomethyl)-2,2,4-trimethylpentane?
3-(bromomethyl)-2,2,4-trimethylpentane has a molecular weight of 207.15 g/mol, XLogP of 3.70, 2 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-trimethylpentane is sourced from PubChem (CID 83142537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).