[4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid

C12H21BO3Si — CID 11107815

IUPAC[4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)cc1
InChIInChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3
InChIKeyNVHHEADQQACSCJ-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.75
Rot. Bonds3

About [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid

[4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid (PubChem CID 11107815) has the molecular formula C12H21BO3Si and a molecular weight of 252.20 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid
PubChem CID11107815
Molecular FormulaC12H21BO3Si
Molecular Weight252.20 g/mol
Exact Mass252.14
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)cc1
InChIInChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3
InChIKeyNVHHEADQQACSCJ-UHFFFAOYSA-N
XLogP1.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Trimethylsilyl)phenol
CID 25732
4-Triethylsilylphenol
CID 71720369
Trimethylphenoxysilane
CID 73720
Silane, dimethyldiphenoxy-
CID 76972
4-[Diethyl-(4-hydroxyphenyl)silyl]phenol
CID 23349396
4-[Ethyl(dimethyl)silyl]phenol
CID 59866972
1,4-Bis(trimethylsiloxy)benzene
CID 298121
4-(tert-Butyldimethylsiloxy)phenol
CID 597388
2-[(Tert-butyldimethylsilyl)oxy]phenol
CID 10878826
3-(tert-Butyldimethylsilyloxy)phenylboronic Acid
CID 3463029
tert-Butyl(4-fluorophenoxy)dimethylsilane
CID 13683074
Bis(4-hydroxyphenyl)dimethylsilane
CID 23496528

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid (CID 11107815) is [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid is CC(C)(C)[Si](C)(C)Oc1ccc(B(O)O)cc1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid?
The InChIKey is NVHHEADQQACSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid?
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid has a molecular weight of 252.20 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid is sourced from PubChem (CID 11107815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).