[2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid

C14H25BO4Si — CID 131845103

IUPAC[2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid
SMILESCCOc1ccc(B(O)O)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H25BO4Si/c1-7-18-11-8-9-12(15(16)17)13(10-11)19-20(5,6)14(2,3)4/h8-10,16-17H,7H2,1-6H3
InChIKeyIRDJQRUQSPYVPR-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.15
Rot. Bonds5

About [2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid

[2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid (PubChem CID 131845103) has the molecular formula C14H25BO4Si and a molecular weight of 296.25 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid
PubChem CID131845103
Molecular FormulaC14H25BO4Si
Molecular Weight296.25 g/mol
Exact Mass296.16
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid
SMILESCCOc1ccc(B(O)O)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C14H25BO4Si/c1-7-18-11-8-9-12(15(16)17)13(10-11)19-20(5,6)14(2,3)4/h8-10,16-17H,7H2,1-6H3
InChIKeyIRDJQRUQSPYVPR-UHFFFAOYSA-N
XLogP2.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.15
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

(2,5-diethoxyphenyl)boronic acid
CID 45094210
[2-[tert-butyl(dimethyl)silyl]oxy-5-fluorophenyl]boronic acid
CID 167729414
(4-ethoxy-2-formylphenyl)boronic acid
CID 52987974
[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201
[5-ethoxy-2-(trifluoromethoxy)phenoxy]boronic acid
CID 142787488
[4-ethoxy-2-(trifluoromethyl)phenoxy]boronic acid
CID 22035006
2-[2-[tert-butyl(dimethyl)silyl]oxyphenoxy]ethylboronic acid
CID 77231463
2-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzaldehyde
CID 23165516
[2-[tert-butyl(dimethyl)silyl]oxy-4-octoxyphenyl]-phenylmethanone
CID 171060871
4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-methoxybenzoic acid
CID 162506085
[4-butoxy-3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 176638011
6-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-N-(3-ethoxyphenyl)-1-oxoindene-2-carbothioamide
CID 140900123

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid (CID 131845103) is [2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid is CCOc1ccc(B(O)O)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid?
The InChIKey is IRDJQRUQSPYVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO4Si/c1-7-18-11-8-9-12(15(16)17)13(10-11)19-20(5,6)14(2,3)4/h8-10,16-17H,7H2,1-6H3.
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid?
[2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid has a molecular weight of 296.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(dimethyl)silyl]oxy-4-ethoxyphenyl]boronic acid is sourced from PubChem (CID 131845103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).