2-methylbutan-2-ol;1,1,2-tribromoethanol

C7H15Br3O2 — CID 174782089

IUPAC2-methylbutan-2-ol;1,1,2-tribromoethanol
SMILESCCC(C)(C)O.OC(Br)(Br)CBr
InChIInChI=1S/C5H12O.C2H3Br3O/c1-4-5(2,3)6;3-1-2(4,5)6/h6H,4H2,1-3H3;6H,1H2
InChIKeyBSEHIIMVPMYPML-UHFFFAOYSA-N
MW370.91 g/mol
LogP2.98
Rot. Bonds2

About 2-methylbutan-2-ol;1,1,2-tribromoethanol

2-methylbutan-2-ol;1,1,2-tribromoethanol (PubChem CID 174782089) has the molecular formula C7H15Br3O2 and a molecular weight of 370.91 g/mol. Its IUPAC name is 2-methylbutan-2-ol;1,1,2-tribromoethanol.

Molecular Properties

Compound Name2-methylbutan-2-ol;1,1,2-tribromoethanol
PubChem CID174782089
Molecular FormulaC7H15Br3O2
Molecular Weight370.91 g/mol
Exact Mass367.86
IUPAC Name2-methylbutan-2-ol;1,1,2-tribromoethanol
SMILESCCC(C)(C)O.OC(Br)(Br)CBr
InChIInChI=1S/C5H12O.C2H3Br3O/c1-4-5(2,3)6;3-1-2(4,5)6/h6H,4H2,1-3H3;6H,1H2
InChIKeyBSEHIIMVPMYPML-UHFFFAOYSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;bis(2-methylbutan-2-ol)
CID 174951100
methanamine;2-methylbutan-2-ol
CID 142079467
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
1,2-dibromo-2-methylpropane;1,1,1-tribromo-2,2-dimethylpropane
CID 158802625
1-bromo-1,1-difluoro-2-methylbutan-2-ol
CID 107139992
1,2,2-tribromobutane-1,1-diol
CID 118275929
hafnium;3-methylpentan-3-ol
CID 154175223
2-arsanylbutan-2-ol
CID 173005032
(2S)-2-iodobutan-2-ol
CID 126611697
3,3-dimethylpentane;ethane;methanol
CID 144527462
azane;3-methylpentan-3-ol
CID 87107560
2,3-dibromo-2-ethyl-3-methylbutanoic acid
CID 91152482

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-ol;1,1,2-tribromoethanol?
The IUPAC name of 2-methylbutan-2-ol;1,1,2-tribromoethanol (CID 174782089) is 2-methylbutan-2-ol;1,1,2-tribromoethanol.
What is the SMILES notation for 2-methylbutan-2-ol;1,1,2-tribromoethanol?
The canonical SMILES for 2-methylbutan-2-ol;1,1,2-tribromoethanol is CCC(C)(C)O.OC(Br)(Br)CBr.
What is the InChIKey of 2-methylbutan-2-ol;1,1,2-tribromoethanol?
The InChIKey is BSEHIIMVPMYPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C2H3Br3O/c1-4-5(2,3)6;3-1-2(4,5)6/h6H,4H2,1-3H3;6H,1H2.
What are the key properties of 2-methylbutan-2-ol;1,1,2-tribromoethanol?
2-methylbutan-2-ol;1,1,2-tribromoethanol has a molecular weight of 370.91 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-ol;1,1,2-tribromoethanol is sourced from PubChem (CID 174782089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).