3-bromo-2-methylpentane

C6H13Br — CID 12712366

IUPAC3-bromo-2-methylpentane
SMILESCCC(Br)C(C)C
InChIInChI=1S/C6H13Br/c1-4-6(7)5(2)3/h5-6H,4H2,1-3H3
InChIKeyMPRUWKDQTYKEDP-UHFFFAOYSA-N
MW165.07 g/mol
LogP2.82
Rot. Bonds2

About 3-bromo-2-methylpentane

3-bromo-2-methylpentane (PubChem CID 12712366) has the molecular formula C6H13Br and a molecular weight of 165.07 g/mol. Its IUPAC name is 3-bromo-2-methylpentane.

Molecular Properties

Compound Name3-bromo-2-methylpentane
PubChem CID12712366
Molecular FormulaC6H13Br
Molecular Weight165.07 g/mol
Exact Mass164.02
IUPAC Name3-bromo-2-methylpentane
SMILESCCC(Br)C(C)C
InChIInChI=1S/C6H13Br/c1-4-6(7)5(2)3/h5-6H,4H2,1-3H3
InChIKeyMPRUWKDQTYKEDP-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.07
LogP ≤ 52.82
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-methylpentane?
The IUPAC name of 3-bromo-2-methylpentane (CID 12712366) is 3-bromo-2-methylpentane.
What is the SMILES notation for 3-bromo-2-methylpentane?
The canonical SMILES for 3-bromo-2-methylpentane is CCC(Br)C(C)C.
What is the InChIKey of 3-bromo-2-methylpentane?
The InChIKey is MPRUWKDQTYKEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13Br/c1-4-6(7)5(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 3-bromo-2-methylpentane?
3-bromo-2-methylpentane has a molecular weight of 165.07 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylpentane is sourced from PubChem (CID 12712366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).