methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate

C10H19N3O2Si — CID 66839353

IUPACmethyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate
SMILESCOC(=O)C(C)n1nnc([Si](C)(C)C)c1C
InChIInChI=1S/C10H19N3O2Si/c1-7-9(16(4,5)6)11-12-13(7)8(2)10(14)15-3/h8H,1-6H3
InChIKeyDJVZYVIBOZRNJD-UHFFFAOYSA-N
MW241.37 g/mol
LogP0.87
Rot. Bonds3

About methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate

methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate (PubChem CID 66839353) has the molecular formula C10H19N3O2Si and a molecular weight of 241.37 g/mol. Its IUPAC name is methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate
PubChem CID66839353
Molecular FormulaC10H19N3O2Si
Molecular Weight241.37 g/mol
Exact Mass241.12
IUPAC Namemethyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate
SMILESCOC(=O)C(C)n1nnc([Si](C)(C)C)c1C
InChIInChI=1S/C10H19N3O2Si/c1-7-9(16(4,5)6)11-12-13(7)8(2)10(14)15-3/h8H,1-6H3
InChIKeyDJVZYVIBOZRNJD-UHFFFAOYSA-N
XLogP0.87
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 50.87
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 methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate?
The IUPAC name of methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate (CID 66839353) is methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate?
The canonical SMILES for methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate is COC(=O)C(C)n1nnc([Si](C)(C)C)c1C.
What is the InChIKey of methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate?
The InChIKey is DJVZYVIBOZRNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2Si/c1-7-9(16(4,5)6)11-12-13(7)8(2)10(14)15-3/h8H,1-6H3.
What are the key properties of methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate?
methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate has a molecular weight of 241.37 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-4-trimethylsilyltriazol-1-yl)propanoate is sourced from PubChem (CID 66839353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).