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

C20H35BO3Si — CID 163353944

IUPACtert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[Si](C)(C)C(C)(C)C)c1C
InChIInChI=1S/C20H35BO3Si/c1-14-12-16(21-23-19(6,7)20(8,9)24-21)13-17(15(14)2)22-25(10,11)18(3,4)5/h12-13H,1-11H3
InChIKeyXXLNDLNKUGRZJB-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.99
Rot. Bonds3

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

tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane (PubChem CID 163353944) has the molecular formula C20H35BO3Si and a molecular weight of 362.40 g/mol. Its IUPAC name is tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
PubChem CID163353944
Molecular FormulaC20H35BO3Si
Molecular Weight362.40 g/mol
Exact Mass362.24
IUPAC Nametert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[Si](C)(C)C(C)(C)C)c1C
InChIInChI=1S/C20H35BO3Si/c1-14-12-16(21-23-19(6,7)20(8,9)24-21)13-17(15(14)2)22-25(10,11)18(3,4)5/h12-13H,1-11H3
InChIKeyXXLNDLNKUGRZJB-UHFFFAOYSA-N
XLogP4.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.99
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-[3-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
CID 135742476
tert-butyl-[2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane
CID 167730544
2-(4-fluoro-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 56973158
2-[4-[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90049145
2-(4-methoxy-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11288475
1-[2-methoxy-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
CID 133055478
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 2734649
[2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 74888619
tert-butyl-[(1S)-1-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]-dimethylsilane
CID 67429299
[4-[4,6-bis[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-1,3,5,2,4,6-trioxatriborinan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyphenoxy]-tert-butyl-dimethylsilane
CID 45379123
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
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 90105259

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane (CID 163353944) is tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane is Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[Si](C)(C)C(C)(C)C)c1C.
What is the InChIKey of tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
The InChIKey is XXLNDLNKUGRZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35BO3Si/c1-14-12-16(21-23-19(6,7)20(8,9)24-21)13-17(15(14)2)22-25(10,11)18(3,4)5/h12-13H,1-11H3.
What are the key properties of tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane?
tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane has a molecular weight of 362.40 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-dimethylsilane is sourced from PubChem (CID 163353944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).