trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane

C22H28N2OSi — CID 22978343

IUPACtrimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C22H28N2OSi/c1-18-10-12-20-21(13-11-19-8-6-5-7-9-19)23-24(22(20)16-18)17-25-14-15-26(2,3)4/h5-13,16H,14-15,17H2,1-4H3/b13-11+
InChIKeyOGSYCFVTAONRHV-ACCUITESSA-N
MW364.57 g/mol
LogP5.83
Rot. Bonds7

About trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (PubChem CID 22978343) has the molecular formula C22H28N2OSi and a molecular weight of 364.57 g/mol. Its IUPAC name is trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
PubChem CID22978343
Molecular FormulaC22H28N2OSi
Molecular Weight364.57 g/mol
Exact Mass364.20
IUPAC Nametrimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C22H28N2OSi/c1-18-10-12-20-21(13-11-19-8-6-5-7-9-19)23-24(22(20)16-18)17-25-14-15-26(2,3)4/h5-13,16H,14-15,17H2,1-4H3/b13-11+
InChIKeyOGSYCFVTAONRHV-ACCUITESSA-N
XLogP5.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (CID 22978343) is trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane is Cc1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is OGSYCFVTAONRHV-ACCUITESSA-N. The full InChI is InChI=1S/C22H28N2OSi/c1-18-10-12-20-21(13-11-19-8-6-5-7-9-19)23-24(22(20)16-18)17-25-14-15-26(2,3)4/h5-13,16H,14-15,17H2,1-4H3/b13-11+.
What are the key properties of trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 364.57 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 22978343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).