2,3-dimethylbutane-2,3-diol;hydrobromide

C6H15BrO2 — CID 175354079

IUPAC2,3-dimethylbutane-2,3-diol;hydrobromide
SMILESBr.CC(C)(O)C(C)(C)O
InChIInChI=1S/C6H14O2.BrH/c1-5(2,7)6(3,4)8;/h7-8H,1-4H3;1H
InChIKeyBSQNIRXTJNXYLG-UHFFFAOYSA-N
MW199.09 g/mol
LogP1.11
Rot. Bonds1

About 2,3-dimethylbutane-2,3-diol;hydrobromide

2,3-dimethylbutane-2,3-diol;hydrobromide (PubChem CID 175354079) has the molecular formula C6H15BrO2 and a molecular weight of 199.09 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diol;hydrobromide.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diol;hydrobromide
PubChem CID175354079
Molecular FormulaC6H15BrO2
Molecular Weight199.09 g/mol
Exact Mass198.03
IUPAC Name2,3-dimethylbutane-2,3-diol;hydrobromide
SMILESBr.CC(C)(O)C(C)(C)O
InChIInChI=1S/C6H14O2.BrH/c1-5(2,7)6(3,4)8;/h7-8H,1-4H3;1H
InChIKeyBSQNIRXTJNXYLG-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.09
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-deuterio-2,3-dimethylbutane-2,3-diol
CID 175701581
bis(2,3,3-trimethylbutan-2-ol);hydrate
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CID 155249648
2-methyl-3-silylbutane-2,3-diol
CID 174482175
2-methyl-3-methylbutane-2,3-diol
CID 161412790
methane;2-methylpropan-2-ol
CID 157161859
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2-methylpropan-2-ol;molybdenum
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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2,3-diol;hydrobromide?
The IUPAC name of 2,3-dimethylbutane-2,3-diol;hydrobromide (CID 175354079) is 2,3-dimethylbutane-2,3-diol;hydrobromide.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diol;hydrobromide?
The canonical SMILES for 2,3-dimethylbutane-2,3-diol;hydrobromide is Br.CC(C)(O)C(C)(C)O.
What is the InChIKey of 2,3-dimethylbutane-2,3-diol;hydrobromide?
The InChIKey is BSQNIRXTJNXYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.BrH/c1-5(2,7)6(3,4)8;/h7-8H,1-4H3;1H.
What are the key properties of 2,3-dimethylbutane-2,3-diol;hydrobromide?
2,3-dimethylbutane-2,3-diol;hydrobromide has a molecular weight of 199.09 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diol;hydrobromide is sourced from PubChem (CID 175354079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).