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

C13H23BO3Si — CID 23365435

IUPAC[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(B(O)O)cc1
InChIInChI=1S/C13H23BO3Si/c1-13(2,3)18(4,5)17-10-11-6-8-12(9-7-11)14(15)16/h6-9,15-16H,10H2,1-5H3
InChIKeyUMYBPELCCZPPOD-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.89
Rot. Bonds4

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

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid (PubChem CID 23365435) has the molecular formula C13H23BO3Si and a molecular weight of 266.22 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid
PubChem CID23365435
Molecular FormulaC13H23BO3Si
Molecular Weight266.22 g/mol
Exact Mass266.15
IUPAC Name[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(B(O)O)cc1
InChIInChI=1S/C13H23BO3Si/c1-13(2,3)18(4,5)17-10-11-6-8-12(9-7-11)14(15)16/h6-9,15-16H,10H2,1-5H3
InChIKeyUMYBPELCCZPPOD-UHFFFAOYSA-N
XLogP1.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.89
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

CID 518982
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CID 117406
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CID 10020633
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CID 11989421
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CID 13085174
CID 13085174
CID 518978
CID 518978
CID 94518
CID 94518
CID 3759408
CID 3759408
CID 11989422
CID 11989422
CID 563229
CID 563229
CID 11107483
CID 11107483
CID 13861700
CID 13861700

Frequently Asked Questions

What is the IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid?
The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid (CID 23365435) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid.
What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid?
The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid is CC(C)(C)[Si](C)(C)OCc1ccc(B(O)O)cc1.
What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid?
The InChIKey is UMYBPELCCZPPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BO3Si/c1-13(2,3)18(4,5)17-10-11-6-8-12(9-7-11)14(15)16/h6-9,15-16H,10H2,1-5H3.
What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid?
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]boronic acid has a molecular weight of 266.22 g/mol, XLogP of 1.89, 4 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]oxymethyl]phenyl]boronic acid is sourced from PubChem (CID 23365435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).