2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C21H25IN2OSi — CID 20580679

IUPAC2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(I)ccc21
InChIInChI=1S/C21H25IN2OSi/c1-26(2,3)14-13-25-16-24-21-12-10-18(22)15-19(21)20(23-24)11-9-17-7-5-4-6-8-17/h4-12,15H,13-14,16H2,1-3H3/b11-9+
InChIKeyVLSXWQUFIWCOBQ-PKNBQFBNSA-N
MW476.43 g/mol
LogP6.12
Rot. Bonds7

About 2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 20580679) has the molecular formula C21H25IN2OSi and a molecular weight of 476.43 g/mol. Its IUPAC name is 2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID20580679
Molecular FormulaC21H25IN2OSi
Molecular Weight476.43 g/mol
Exact Mass476.08
IUPAC Name2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(I)ccc21
InChIInChI=1S/C21H25IN2OSi/c1-26(2,3)14-13-25-16-24-21-12-10-18(22)15-19(21)20(23-24)11-9-17-7-5-4-6-8-17/h4-12,15H,13-14,16H2,1-3H3/b11-9+
InChIKeyVLSXWQUFIWCOBQ-PKNBQFBNSA-N
XLogP6.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.43
LogP ≤ 56.12
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 20580679) is 2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(/C=C/c2ccccc2)c2cc(I)ccc21.
What is the InChIKey of 2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VLSXWQUFIWCOBQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H25IN2OSi/c1-26(2,3)14-13-25-16-24-21-12-10-18(22)15-19(21)20(23-24)11-9-17-7-5-4-6-8-17/h4-12,15H,13-14,16H2,1-3H3/b11-9+.
What are the key properties of 2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 476.43 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 20580679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).