trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane

C11H22BN3O2Si — CID 172644563

IUPACtrimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane
SMILESCC1(C)OB(c2cn([Si](C)(C)C)nn2)OC1(C)C
InChIInChI=1S/C11H22BN3O2Si/c1-10(2)11(3,4)17-12(16-10)9-8-15(14-13-9)18(5,6)7/h8H,1-7H3
InChIKeyRZMSYEZMBVSYAL-UHFFFAOYSA-N
MW267.21 g/mol
LogP1.26
Rot. Bonds2

About trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane

trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane (PubChem CID 172644563) has the molecular formula C11H22BN3O2Si and a molecular weight of 267.21 g/mol. Its IUPAC name is trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane
PubChem CID172644563
Molecular FormulaC11H22BN3O2Si
Molecular Weight267.21 g/mol
Exact Mass267.16
IUPAC Nametrimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane
SMILESCC1(C)OB(c2cn([Si](C)(C)C)nn2)OC1(C)C
InChIInChI=1S/C11H22BN3O2Si/c1-10(2)11(3,4)17-12(16-10)9-8-15(14-13-9)18(5,6)7/h8H,1-7H3
InChIKeyRZMSYEZMBVSYAL-UHFFFAOYSA-N
XLogP1.26
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
CID 172644506
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-thiophen-2-yltriazole
CID 172644922
3-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]pyridine
CID 172993349
2-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]pyridine
CID 172644512
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[3-(trifluoromethyl)phenyl]triazole
CID 172644557
N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine
CID 172644340
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)imidazole
CID 172644476
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-triazole
CID 71463824
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 68957537
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine
CID 170918176
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-a]imidazole
CID 170986505

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane?
The IUPAC name of trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane (CID 172644563) is trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane.
What is the SMILES notation for trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane?
The canonical SMILES for trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane is CC1(C)OB(c2cn([Si](C)(C)C)nn2)OC1(C)C.
What is the InChIKey of trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane?
The InChIKey is RZMSYEZMBVSYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BN3O2Si/c1-10(2)11(3,4)17-12(16-10)9-8-15(14-13-9)18(5,6)7/h8H,1-7H3.
What are the key properties of trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane?
trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane has a molecular weight of 267.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane is sourced from PubChem (CID 172644563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).