1-bromo-5-chloro-2-methylpentane

C6H12BrCl — CID 57066118

IUPAC1-bromo-5-chloro-2-methylpentane
SMILESCC(CBr)CCCCl
InChIInChI=1S/C6H12BrCl/c1-6(5-7)3-2-4-8/h6H,2-5H2,1H3
InChIKeyROWBUJWZQNCJAX-UHFFFAOYSA-N
MW199.52 g/mol
LogP3.04
Rot. Bonds4

About 1-bromo-5-chloro-2-methylpentane

1-bromo-5-chloro-2-methylpentane (PubChem CID 57066118) has the molecular formula C6H12BrCl and a molecular weight of 199.52 g/mol. Its IUPAC name is 1-bromo-5-chloro-2-methylpentane.

Molecular Properties

Compound Name1-bromo-5-chloro-2-methylpentane
PubChem CID57066118
Molecular FormulaC6H12BrCl
Molecular Weight199.52 g/mol
Exact Mass197.98
IUPAC Name1-bromo-5-chloro-2-methylpentane
SMILESCC(CBr)CCCCl
InChIInChI=1S/C6H12BrCl/c1-6(5-7)3-2-4-8/h6H,2-5H2,1H3
InChIKeyROWBUJWZQNCJAX-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.52
LogP ≤ 53.04
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 1-bromo-5-chloro-2-methylpentane?
The IUPAC name of 1-bromo-5-chloro-2-methylpentane (CID 57066118) is 1-bromo-5-chloro-2-methylpentane.
What is the SMILES notation for 1-bromo-5-chloro-2-methylpentane?
The canonical SMILES for 1-bromo-5-chloro-2-methylpentane is CC(CBr)CCCCl.
What is the InChIKey of 1-bromo-5-chloro-2-methylpentane?
The InChIKey is ROWBUJWZQNCJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrCl/c1-6(5-7)3-2-4-8/h6H,2-5H2,1H3.
What are the key properties of 1-bromo-5-chloro-2-methylpentane?
1-bromo-5-chloro-2-methylpentane has a molecular weight of 199.52 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloro-2-methylpentane is sourced from PubChem (CID 57066118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).