[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate

C10H21N3O4SSi — CID 123264105

IUPAC[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate
SMILESC[Si](C)(C)CCOCn1ncc(COS(C)(=O)=O)n1
InChIInChI=1S/C10H21N3O4SSi/c1-18(14,15)17-8-10-7-11-13(12-10)9-16-5-6-19(2,3)4/h7H,5-6,8-9H2,1-4H3
InChIKeyYADIJYAOULXPDT-UHFFFAOYSA-N
MW307.45 g/mol
LogP1.07
Rot. Bonds8

About [2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate

[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate (PubChem CID 123264105) has the molecular formula C10H21N3O4SSi and a molecular weight of 307.45 g/mol. Its IUPAC name is [2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate.

Molecular Properties

Compound Name[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate
PubChem CID123264105
Molecular FormulaC10H21N3O4SSi
Molecular Weight307.45 g/mol
Exact Mass307.10
IUPAC Name[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate
SMILESC[Si](C)(C)CCOCn1ncc(COS(C)(=O)=O)n1
InChIInChI=1S/C10H21N3O4SSi/c1-18(14,15)17-8-10-7-11-13(12-10)9-16-5-6-19(2,3)4/h7H,5-6,8-9H2,1-4H3
InChIKeyYADIJYAOULXPDT-UHFFFAOYSA-N
XLogP1.07
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(benzenesulfonylmethyl)triazol-2-yl]methoxy]ethyl-trimethylsilane
CID 170992405
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-2-yl]methoxy]ethyl]silane
CID 156678796
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
2-[[5-(2-methoxyethyl)-4-(2-methylsulfonylethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 142341621
[6-fluoro-4-[(2-methylpropan-2-yl)oxy]-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
CID 153403198
3-(2-trimethylsilylethoxymethyl)pyrimidin-4-one
CID 175839640
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
[6-fluoro-4-(1,1,2,2-tetrafluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl methanesulfonate
CID 153403274
2-[[3-bromo-5-(phenylsulfonimidoyl)-1,2,4-triazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153357237
2-[[5-(3-chlorophenyl)-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123351166
trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
CID 133058723

Frequently Asked Questions

What is the IUPAC name of [2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate?
The IUPAC name of [2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate (CID 123264105) is [2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate.
What is the SMILES notation for [2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate?
The canonical SMILES for [2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate is C[Si](C)(C)CCOCn1ncc(COS(C)(=O)=O)n1.
What is the InChIKey of [2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate?
The InChIKey is YADIJYAOULXPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4SSi/c1-18(14,15)17-8-10-7-11-13(12-10)9-16-5-6-19(2,3)4/h7H,5-6,8-9H2,1-4H3.
What are the key properties of [2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate?
[2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate has a molecular weight of 307.45 g/mol, XLogP of 1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-trimethylsilylethoxymethyl)triazol-4-yl]methyl methanesulfonate is sourced from PubChem (CID 123264105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).