2,2-dimethylpropane-1,3-diol;hydrobromide

C5H13BrO2 — CID 162005939

IUPAC2,2-dimethylpropane-1,3-diol;hydrobromide
SMILESBr.CC(C)(CO)CO
InChIInChI=1S/C5H12O2.BrH/c1-5(2,3-6)4-7;/h6-7H,3-4H2,1-2H3;1H
InChIKeyDYOQSGRYXVSLIA-UHFFFAOYSA-N
MW185.06 g/mol
LogP0.58
Rot. Bonds2

About 2,2-dimethylpropane-1,3-diol;hydrobromide

2,2-dimethylpropane-1,3-diol;hydrobromide (PubChem CID 162005939) has the molecular formula C5H13BrO2 and a molecular weight of 185.06 g/mol. Its IUPAC name is 2,2-dimethylpropane-1,3-diol;hydrobromide.

Molecular Properties

Compound Name2,2-dimethylpropane-1,3-diol;hydrobromide
PubChem CID162005939
Molecular FormulaC5H13BrO2
Molecular Weight185.06 g/mol
Exact Mass184.01
IUPAC Name2,2-dimethylpropane-1,3-diol;hydrobromide
SMILESBr.CC(C)(CO)CO
InChIInChI=1S/C5H12O2.BrH/c1-5(2,3-6)4-7;/h6-7H,3-4H2,1-2H3;1H
InChIKeyDYOQSGRYXVSLIA-UHFFFAOYSA-N
XLogP0.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87364467
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2,2-dimethylpropane-1,3-diol;propan-2-ol
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2,2-dimethylpropane-1,3-diol;selenous acid
CID 88681450
2,2-dimethylpropane-1,3-diol;methoxyboronic acid
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2,2-dimethylpropane-1,3-diol;tetrakis(2-sulfanylacetic acid)
CID 23499730
(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
CID 102143435
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
sodium;2,2-dimethylbutan-1-ol;hydride
CID 174392130
cyclohexylcyclohexane;2,2-dimethylpropane-1,3-diol
CID 67866109
4-amino-2,2-dimethylbutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane-1,3-diol;hydrobromide?
The IUPAC name of 2,2-dimethylpropane-1,3-diol;hydrobromide (CID 162005939) is 2,2-dimethylpropane-1,3-diol;hydrobromide.
What is the SMILES notation for 2,2-dimethylpropane-1,3-diol;hydrobromide?
The canonical SMILES for 2,2-dimethylpropane-1,3-diol;hydrobromide is Br.CC(C)(CO)CO.
What is the InChIKey of 2,2-dimethylpropane-1,3-diol;hydrobromide?
The InChIKey is DYOQSGRYXVSLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.BrH/c1-5(2,3-6)4-7;/h6-7H,3-4H2,1-2H3;1H.
What are the key properties of 2,2-dimethylpropane-1,3-diol;hydrobromide?
2,2-dimethylpropane-1,3-diol;hydrobromide has a molecular weight of 185.06 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane-1,3-diol;hydrobromide is sourced from PubChem (CID 162005939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).