boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol

C7H19BO6 — CID 175109670

IUPACboric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol
SMILESCCOOCC(C)(C)CO.OB(O)O
InChIInChI=1S/C7H16O3.BH3O3/c1-4-9-10-6-7(2,3)5-8;2-1(3)4/h8H,4-6H2,1-3H3;2-4H
InChIKeyJLVGKBKTKNYVTL-UHFFFAOYSA-N
MW210.03 g/mol
LogP-1.08
Rot. Bonds5

About boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol

boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol (PubChem CID 175109670) has the molecular formula C7H19BO6 and a molecular weight of 210.03 g/mol. Its IUPAC name is boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Nameboric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol
PubChem CID175109670
Molecular FormulaC7H19BO6
Molecular Weight210.03 g/mol
Exact Mass210.13
IUPAC Nameboric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol
SMILESCCOOCC(C)(C)CO.OB(O)O
InChIInChI=1S/C7H16O3.BH3O3/c1-4-9-10-6-7(2,3)5-8;2-1(3)4/h8H,4-6H2,1-3H3;2-4H
InChIKeyJLVGKBKTKNYVTL-UHFFFAOYSA-N
XLogP-1.08
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.03
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-2,2-dimethylpropan-1-ol
CID 12698285
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536
2,2-dimethylpropane-1,3-diol;hydrobromide
CID 162005939
2,2-dimethylpropane-1,3-diol;methoxyboronic acid
CID 175338700
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
2,2-dimethyl-3-methylperoxypropan-1-ol;3-ethoxyprop-2-enoic acid
CID 173272341
2,2-dimethyl-3-[(E)-pent-2-en-3-yl]oxypropan-1-ol
CID 134997394
3-methoxy-2,2-dimethylpropan-1-ol;phosphorous acid
CID 87707979
3-[3-[3-(2,2-dimethylpropoxy)-2,2-dimethylpropoxy]-2,2-dimethylpropoxy]-2,2-dimethylpropan-1-ol
CID 58571429
2,2-dimethylpropane-1,3-diol;dihydrochloride
CID 172807554
CID 87364467
CID 87364467
3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019083

Frequently Asked Questions

What is the IUPAC name of boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol?
The IUPAC name of boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol (CID 175109670) is boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol.
What is the SMILES notation for boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol?
The canonical SMILES for boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol is CCOOCC(C)(C)CO.OB(O)O.
What is the InChIKey of boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol?
The InChIKey is JLVGKBKTKNYVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3.BH3O3/c1-4-9-10-6-7(2,3)5-8;2-1(3)4/h8H,4-6H2,1-3H3;2-4H.
What are the key properties of boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol?
boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol has a molecular weight of 210.03 g/mol, XLogP of -1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;3-ethylperoxy-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 175109670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).