[1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane

C18H28BN3O2Si — CID 75175980

IUPAC[1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane
SMILESCC1(C)OB(c2c([Si](C)(C)C)nnn2Cc2ccccc2)OC1(C)C
InChIInChI=1S/C18H28BN3O2Si/c1-17(2)18(3,4)24-19(23-17)15-16(25(5,6)7)20-21-22(15)13-14-11-9-8-10-12-14/h8-12H,13H2,1-7H3
InChIKeyBSRMDWYBIWENRW-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.17
Rot. Bonds4

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

[1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane (PubChem CID 75175980) has the molecular formula C18H28BN3O2Si and a molecular weight of 357.34 g/mol. Its IUPAC name is [1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane
PubChem CID75175980
Molecular FormulaC18H28BN3O2Si
Molecular Weight357.34 g/mol
Exact Mass357.20
IUPAC Name[1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane
SMILESCC1(C)OB(c2c([Si](C)(C)C)nnn2Cc2ccccc2)OC1(C)C
InChIInChI=1S/C18H28BN3O2Si/c1-17(2)18(3,4)24-19(23-17)15-16(25(5,6)7)20-21-22(15)13-14-11-9-8-10-12-14/h8-12H,13H2,1-7H3
InChIKeyBSRMDWYBIWENRW-UHFFFAOYSA-N
XLogP2.17
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane?
The IUPAC name of [1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane (CID 75175980) is [1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane.
What is the SMILES notation for [1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane?
The canonical SMILES for [1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane is CC1(C)OB(c2c([Si](C)(C)C)nnn2Cc2ccccc2)OC1(C)C.
What is the InChIKey of [1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane?
The InChIKey is BSRMDWYBIWENRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BN3O2Si/c1-17(2)18(3,4)24-19(23-17)15-16(25(5,6)7)20-21-22(15)13-14-11-9-8-10-12-14/h8-12H,13H2,1-7H3.
What are the key properties of [1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane?
[1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane has a molecular weight of 357.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-4-yl]-trimethylsilane is sourced from PubChem (CID 75175980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).