2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane

C15H28N2O2Si — CID 175489258

IUPAC2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOCC1CCCc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C15H28N2O2Si/c1-18-11-13-6-5-7-15-14(13)10-16-17(15)12-19-8-9-20(2,3)4/h10,13H,5-9,11-12H2,1-4H3
InChIKeyVSNYXEKOKKONQL-UHFFFAOYSA-N
MW296.49 g/mol
LogP3.26
Rot. Bonds7

About 2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 175489258) has the molecular formula C15H28N2O2Si and a molecular weight of 296.49 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID175489258
Molecular FormulaC15H28N2O2Si
Molecular Weight296.49 g/mol
Exact Mass296.19
IUPAC Name2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOCC1CCCc2c1cnn2COCC[Si](C)(C)C
InChIInChI=1S/C15H28N2O2Si/c1-18-11-13-6-5-7-15-14(13)10-16-17(15)12-19-8-9-20(2,3)4/h10,13H,5-9,11-12H2,1-4H3
InChIKeyVSNYXEKOKKONQL-UHFFFAOYSA-N
XLogP3.26
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 175489258) is 2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane is COCC1CCCc2c1cnn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VSNYXEKOKKONQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2Si/c1-18-11-13-6-5-7-15-14(13)10-16-17(15)12-19-8-9-20(2,3)4/h10,13H,5-9,11-12H2,1-4H3.
What are the key properties of 2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 296.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)-4,5,6,7-tetrahydroindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175489258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).