tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane

C20H35BO3Si — CID 102361548

IUPACtert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C20H35BO3Si/c1-15-13-16(14-22-25(9,10)18(2,3)4)11-12-17(15)21-23-19(5,6)20(7,8)24-21/h11-13H,14H2,1-10H3
InChIKeyXFKDVFDIRYJCQF-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.82
Rot. Bonds4

About tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane

tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane (PubChem CID 102361548) has the molecular formula C20H35BO3Si and a molecular weight of 362.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane
PubChem CID102361548
Molecular FormulaC20H35BO3Si
Molecular Weight362.40 g/mol
Exact Mass362.24
IUPAC Nametert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C20H35BO3Si/c1-15-13-16(14-22-25(9,10)18(2,3)4)11-12-17(15)21-23-19(5,6)20(7,8)24-21/h11-13H,14H2,1-10H3
InChIKeyXFKDVFDIRYJCQF-UHFFFAOYSA-N
XLogP4.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl-[2-(tertbutyldimethylsilyl)oxy-1-phenylethoxy]dimethylsilane
CID 11100658
4-(tert-Butyldimethylsilyloxymethyl)phenylboronic acid
CID 23365435
3-(Hydroxymethyl)-5-methylphenylboronic Acid Pinacol Ester
CID 86222897
3-Methylbenzyl alcohol, TMS derivative
CID 14688145
tert-Butyl((3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)dimethylsilane
CID 135023883
Tert-butyl-[[4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]-dimethylsilane
CID 135023962
tert-butyl-[(1S,3R)-1-(4-fluorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-5-enoxy]-dimethylsilane
CID 154713037
[3-(Hexoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
CID 101061508
tert-butyl-dimethyl-[[3-[(E)-oct-1-enyl]phenyl]methoxy]silane
CID 11989532
3-t-Butyldimethylsilyloxymethylstyrene
CID 22037879
1,1-Bis(3-t-butyldimethylsilyloxymethylphenyl)ethylene
CID 66821955
3-Butyl-1,1-diisopropyl-1,3-dihydrobenzo[c][1,2]oxasilole
CID 124033977

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane (CID 102361548) is tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane is Cc1cc(CO[Si](C)(C)C(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane?
The InChIKey is XFKDVFDIRYJCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35BO3Si/c1-15-13-16(14-22-25(9,10)18(2,3)4)11-12-17(15)21-23-19(5,6)20(7,8)24-21/h11-13H,14H2,1-10H3.
What are the key properties of tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane?
tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane has a molecular weight of 362.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]silane is sourced from PubChem (CID 102361548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).