tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane

C22H39BO3Si — CID 135742476

IUPACtert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
SMILESCC(C)(C)c1cc(O[Si](C)(C)C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C22H39BO3Si/c1-19(2,3)16-13-17(23-25-21(7,8)22(9,10)26-23)15-18(14-16)24-27(11,12)20(4,5)6/h13-15H,1-12H3
InChIKeyMEJKLEBIBVMILV-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.67
Rot. Bonds3

About tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane

tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane (PubChem CID 135742476) has the molecular formula C22H39BO3Si and a molecular weight of 390.45 g/mol. Its IUPAC name is tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
PubChem CID135742476
Molecular FormulaC22H39BO3Si
Molecular Weight390.45 g/mol
Exact Mass390.28
IUPAC Nametert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
SMILESCC(C)(C)c1cc(O[Si](C)(C)C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1
InChIInChI=1S/C22H39BO3Si/c1-19(2,3)16-13-17(23-25-21(7,8)22(9,10)26-23)15-18(14-16)24-27(11,12)20(4,5)6/h13-15H,1-12H3
InChIKeyMEJKLEBIBVMILV-UHFFFAOYSA-N
XLogP5.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10762705
tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
CID 163353944
CID 67997098
CID 67997098
2-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol
CID 70913706
tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
CID 167730544
2-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132508664
2-[3-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 170671848
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 90105259
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 11715768
tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane
CID 67429299
1-[5-[tert-butyl(dimethyl)silyl]oxy-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-2,2-dimethylpropan-1-one
CID 155893529
[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
CID 15543911

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane (CID 135742476) is tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane is CC(C)(C)c1cc(O[Si](C)(C)C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1.
What is the InChIKey of tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
The InChIKey is MEJKLEBIBVMILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39BO3Si/c1-19(2,3)16-13-17(23-25-21(7,8)22(9,10)26-23)15-18(14-16)24-27(11,12)20(4,5)6/h13-15H,1-12H3.
What are the key properties of tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane has a molecular weight of 390.45 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane is sourced from PubChem (CID 135742476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).