1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane

C9H17Br5 — CID 158802625

IUPAC1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane
SMILESCC(C)(Br)CBr.CC(C)(C)C(Br)(Br)Br
InChIInChI=1S/C5H9Br3.C4H8Br2/c1-4(2,3)5(6,7)8;1-4(2,6)3-5/h1-3H3;3H2,1-2H3
InChIKeyITRINRSLDSHJQA-UHFFFAOYSA-N
MW524.76 g/mol
LogP6.43
Rot. Bonds1

About 1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane

1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane (PubChem CID 158802625) has the molecular formula C9H17Br5 and a molecular weight of 524.76 g/mol. Its IUPAC name is 1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane.

Molecular Properties

Compound Name1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane
PubChem CID158802625
Molecular FormulaC9H17Br5
Molecular Weight524.76 g/mol
Exact Mass519.72
IUPAC Name1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane
SMILESCC(C)(Br)CBr.CC(C)(C)C(Br)(Br)Br
InChIInChI=1S/C5H9Br3.C4H8Br2/c1-4(2,3)5(6,7)8;1-4(2,6)3-5/h1-3H3;3H2,1-2H3
InChIKeyITRINRSLDSHJQA-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.76
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 174782089
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CID 15737638
2-bromo-2,4,4-trimethylpentane
CID 11435470
1,2-dibromo-2-[methoxy(methyl)phosphoryl]propane
CID 23268533
1-bromo-2-methylbut-3-en-2-ol
CID 551234
2-bromo-2-(bromomethyl)-3-hydroxy-4,4-dimethylpentanenitrile
CID 14823927
1,1-dibromo-1,2,2,2-tetrafluoroethane;ethane
CID 158764810
potassium;hydride;1,1,1,2-tetrabromoethane
CID 173257550
2,2-dimethylpropane;ethane;ethene
CID 143720811
2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
1,2-dibromo-2,5-dimethylhex-5-en-3-ol
CID 18921014

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane?
The IUPAC name of 1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane (CID 158802625) is 1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane.
What is the SMILES notation for 1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane?
The canonical SMILES for 1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane is CC(C)(Br)CBr.CC(C)(C)C(Br)(Br)Br.
What is the InChIKey of 1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane?
The InChIKey is ITRINRSLDSHJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Br3.C4H8Br2/c1-4(2,3)5(6,7)8;1-4(2,6)3-5/h1-3H3;3H2,1-2H3.
What are the key properties of 1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane?
1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane has a molecular weight of 524.76 g/mol, XLogP of 6.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane is sourced from PubChem (CID 158802625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).