2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)

C13H30Br2Cl2 — CID 157404199

IUPAC2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)
SMILESCC(C)(C)Br.CC(C)Br.CC(C)Cl.CC(C)Cl
InChIInChI=1S/C4H9Br.C3H7Br.2C3H7Cl/c1-4(2,3)5;3*1-3(2)4/h1-3H3;3*3H,1-2H3
InChIKeyBNNKHHXSJSBRTD-UHFFFAOYSA-N
MW417.10 g/mol
LogP7.24
Rot. Bonds

About 2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)

2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane) (PubChem CID 157404199) has the molecular formula C13H30Br2Cl2 and a molecular weight of 417.10 g/mol. Its IUPAC name is 2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane).

Molecular Properties

Compound Name2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)
PubChem CID157404199
Molecular FormulaC13H30Br2Cl2
Molecular Weight417.10 g/mol
Exact Mass414.01
IUPAC Name2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)
SMILESCC(C)(C)Br.CC(C)Br.CC(C)Cl.CC(C)Cl
InChIInChI=1S/C4H9Br.C3H7Br.2C3H7Cl/c1-4(2,3)5;3*1-3(2)4/h1-3H3;3*3H,1-2H3
InChIKeyBNNKHHXSJSBRTD-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.10
LogP ≤ 57.24
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 2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)?
The IUPAC name of 2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane) (CID 157404199) is 2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane).
What is the SMILES notation for 2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)?
The canonical SMILES for 2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane) is CC(C)(C)Br.CC(C)Br.CC(C)Cl.CC(C)Cl.
What is the InChIKey of 2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)?
The InChIKey is BNNKHHXSJSBRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Br.C3H7Br.2C3H7Cl/c1-4(2,3)5;3*1-3(2)4/h1-3H3;3*3H,1-2H3.
What are the key properties of 2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane)?
2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane) has a molecular weight of 417.10 g/mol, XLogP of 7.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methylpropane;2-bromopropane;bis(2-chloropropane) is sourced from PubChem (CID 157404199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).