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

C14H28BN3O3Si — CID 156678796

IUPACtrimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2cnn(COCC[Si](C)(C)C)n2)OC1(C)C
InChIInChI=1S/C14H28BN3O3Si/c1-13(2)14(3,4)21-15(20-13)12-10-16-18(17-12)11-19-8-9-22(5,6)7/h10H,8-9,11H2,1-7H3
InChIKeyHFQDXXAXRCEXLA-UHFFFAOYSA-N
MW325.29 g/mol
LogP1.89
Rot. Bonds6

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

trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane (PubChem CID 156678796) has the molecular formula C14H28BN3O3Si and a molecular weight of 325.29 g/mol. Its IUPAC name is trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane
PubChem CID156678796
Molecular FormulaC14H28BN3O3Si
Molecular Weight325.29 g/mol
Exact Mass325.20
IUPAC Nametrimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2cnn(COCC[Si](C)(C)C)n2)OC1(C)C
InChIInChI=1S/C14H28BN3O3Si/c1-13(2)14(3,4)21-15(20-13)12-10-16-18(17-12)11-19-8-9-22(5,6)7/h10H,8-9,11H2,1-7H3
InChIKeyHFQDXXAXRCEXLA-UHFFFAOYSA-N
XLogP1.89
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-propyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
CID 172645242
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736
2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 90419544
2-[[4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163233343
trimethyl-[2-[[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 71280066
2-[[4-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163251863
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-bis(2-trimethylsilylethoxymethyl)benzimidazol-2-one
CID 175715318
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 175411228
[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate
CID 123264105
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl]silane
CID 169306021
2-butan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
CID 172644498

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane (CID 156678796) is trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane is CC1(C)OB(c2cnn(COCC[Si](C)(C)C)n2)OC1(C)C.
What is the InChIKey of trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane?
The InChIKey is HFQDXXAXRCEXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BN3O3Si/c1-13(2)14(3,4)21-15(20-13)12-10-16-18(17-12)11-19-8-9-22(5,6)7/h10H,8-9,11H2,1-7H3.
What are the key properties of trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane has a molecular weight of 325.29 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane is sourced from PubChem (CID 156678796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).