3-bromo-2,3-dimethylpentane

C7H15Br — CID 54167618

IUPAC3-bromo-2,3-dimethylpentane
SMILESCCC(C)(Br)C(C)C
InChIInChI=1S/C7H15Br/c1-5-7(4,8)6(2)3/h6H,5H2,1-4H3
InChIKeyOSTLWTGDUUPSJB-UHFFFAOYSA-N
MW179.10 g/mol
LogP3.21
Rot. Bonds2

About 3-bromo-2,3-dimethylpentane

3-bromo-2,3-dimethylpentane (PubChem CID 54167618) has the molecular formula C7H15Br and a molecular weight of 179.10 g/mol. Its IUPAC name is 3-bromo-2,3-dimethylpentane.

Molecular Properties

Compound Name3-bromo-2,3-dimethylpentane
PubChem CID54167618
Molecular FormulaC7H15Br
Molecular Weight179.10 g/mol
Exact Mass178.04
IUPAC Name3-bromo-2,3-dimethylpentane
SMILESCCC(C)(Br)C(C)C
InChIInChI=1S/C7H15Br/c1-5-7(4,8)6(2)3/h6H,5H2,1-4H3
InChIKeyOSTLWTGDUUPSJB-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 53.21
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-bromo-2,3-dimethylpentane?
The IUPAC name of 3-bromo-2,3-dimethylpentane (CID 54167618) is 3-bromo-2,3-dimethylpentane.
What is the SMILES notation for 3-bromo-2,3-dimethylpentane?
The canonical SMILES for 3-bromo-2,3-dimethylpentane is CCC(C)(Br)C(C)C.
What is the InChIKey of 3-bromo-2,3-dimethylpentane?
The InChIKey is OSTLWTGDUUPSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Br/c1-5-7(4,8)6(2)3/h6H,5H2,1-4H3.
What are the key properties of 3-bromo-2,3-dimethylpentane?
3-bromo-2,3-dimethylpentane has a molecular weight of 179.10 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,3-dimethylpentane is sourced from PubChem (CID 54167618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).