[4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid

C24H40B2O5Si2 — CID 22281085

IUPAC[4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid
SMILESCC(C)(C)[Si](C)(C)c1ccc(OB(O)OB(O)Oc2ccc([Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H40B2O5Si2/c1-23(2,3)32(7,8)21-15-11-19(12-16-21)29-25(27)31-26(28)30-20-13-17-22(18-14-20)33(9,10)24(4,5)6/h11-18,27-28H,1-10H3
InChIKeyGFLFYGJKRHXIQJ-UHFFFAOYSA-N
MW486.38 g/mol
LogP4.55
Rot. Bonds8

About [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid

[4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid (PubChem CID 22281085) has the molecular formula C24H40B2O5Si2 and a molecular weight of 486.38 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid
PubChem CID22281085
Molecular FormulaC24H40B2O5Si2
Molecular Weight486.38 g/mol
Exact Mass486.26
IUPAC Name[4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid
SMILESCC(C)(C)[Si](C)(C)c1ccc(OB(O)OB(O)Oc2ccc([Si](C)(C)C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H40B2O5Si2/c1-23(2,3)32(7,8)21-15-11-19(12-16-21)29-25(27)31-26(28)30-20-13-17-22(18-14-20)33(9,10)24(4,5)6/h11-18,27-28H,1-10H3
InChIKeyGFLFYGJKRHXIQJ-UHFFFAOYSA-N
XLogP4.55
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid (CID 22281085) is [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid is CC(C)(C)[Si](C)(C)c1ccc(OB(O)OB(O)Oc2ccc([Si](C)(C)C(C)(C)C)cc2)cc1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid?
The InChIKey is GFLFYGJKRHXIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40B2O5Si2/c1-23(2,3)32(7,8)21-15-11-19(12-16-21)29-25(27)31-26(28)30-20-13-17-22(18-14-20)33(9,10)24(4,5)6/h11-18,27-28H,1-10H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid?
[4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid has a molecular weight of 486.38 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]phenoxy]-[[4-[tert-butyl(dimethyl)silyl]phenoxy]-hydroxyboranyl]oxyborinic acid is sourced from PubChem (CID 22281085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).