2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane

C16H25IN2O3Si — CID 22486242

IUPAC2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOC(OC)c1nn(COCC[Si](C)(C)C)c2cccc(I)c12
InChIInChI=1S/C16H25IN2O3Si/c1-20-16(21-2)15-14-12(17)7-6-8-13(14)19(18-15)11-22-9-10-23(3,4)5/h6-8,16H,9-11H2,1-5H3
InChIKeyZJYFDSRMUOCMSI-UHFFFAOYSA-N
MW448.38 g/mol
LogP4.24
Rot. Bonds8

About 2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 22486242) has the molecular formula C16H25IN2O3Si and a molecular weight of 448.38 g/mol. Its IUPAC name is 2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID22486242
Molecular FormulaC16H25IN2O3Si
Molecular Weight448.38 g/mol
Exact Mass448.07
IUPAC Name2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOC(OC)c1nn(COCC[Si](C)(C)C)c2cccc(I)c12
InChIInChI=1S/C16H25IN2O3Si/c1-20-16(21-2)15-14-12(17)7-6-8-13(14)19(18-15)11-22-9-10-23(3,4)5/h6-8,16H,9-11H2,1-5H3
InChIKeyZJYFDSRMUOCMSI-UHFFFAOYSA-N
XLogP4.24
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 22486242) is 2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane is COC(OC)c1nn(COCC[Si](C)(C)C)c2cccc(I)c12.
What is the InChIKey of 2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZJYFDSRMUOCMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25IN2O3Si/c1-20-16(21-2)15-14-12(17)7-6-8-13(14)19(18-15)11-22-9-10-23(3,4)5/h6-8,16H,9-11H2,1-5H3.
What are the key properties of 2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 448.38 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethoxymethyl)-4-iodoindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 22486242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).