2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid

C14H25BO4Si — CID 77231463

IUPAC2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1OCCB(O)O
InChIInChI=1S/C14H25BO4Si/c1-14(2,3)20(4,5)19-13-9-7-6-8-12(13)18-11-10-15(16)17/h6-9,16-17H,10-11H2,1-5H3
InChIKeyWVPYCJRISJHWTF-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.92
Rot. Bonds6

About 2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid

2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid (PubChem CID 77231463) has the molecular formula C14H25BO4Si and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid.

Molecular Properties

Compound Name2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid
PubChem CID77231463
Molecular FormulaC14H25BO4Si
Molecular Weight296.25 g/mol
Exact Mass296.16
IUPAC Name2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1OCCB(O)O
InChIInChI=1S/C14H25BO4Si/c1-14(2,3)20(4,5)19-13-9-7-6-8-12(13)18-11-10-15(16)17/h6-9,16-17H,10-11H2,1-5H3
InChIKeyWVPYCJRISJHWTF-UHFFFAOYSA-N
XLogP2.92
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]boronic acid
CID 53216501
2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 91742925
tert-butyl-dimethyl-(2-propylphenoxy)silane
CID 11196040
[4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 176638011
[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 15535714
[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid
CID 167729414
tert-butyl-dimethyl-[4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]naphthalen-1-yl]oxysilane
CID 10604266
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
[2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid
CID 131845103
3-[tert-butyl(dimethyl)silyl]oxypyridine-2-carboxylic acid
CID 156632330

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid?
The IUPAC name of 2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid (CID 77231463) is 2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid.
What is the SMILES notation for 2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid?
The canonical SMILES for 2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid is CC(C)(C)[Si](C)(C)Oc1ccccc1OCCB(O)O.
What is the InChIKey of 2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid?
The InChIKey is WVPYCJRISJHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO4Si/c1-14(2,3)20(4,5)19-13-9-7-6-8-12(13)18-11-10-15(16)17/h6-9,16-17H,10-11H2,1-5H3.
What are the key properties of 2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid?
2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid has a molecular weight of 296.25 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid is sourced from PubChem (CID 77231463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).