2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane

C15H24N2OSi — CID 174041088

IUPAC2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1ccc2c(cnn2COCC[Si](C)(C)C)c1C
InChIInChI=1S/C15H24N2OSi/c1-12-6-7-15-14(13(12)2)10-16-17(15)11-18-8-9-19(3,4)5/h6-7,10H,8-9,11H2,1-5H3
InChIKeyBBKOCTOKCCHKRW-UHFFFAOYSA-N
MW276.46 g/mol
LogP3.97
Rot. Bonds5

About 2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 174041088) has the molecular formula C15H24N2OSi and a molecular weight of 276.46 g/mol. Its IUPAC name is 2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID174041088
Molecular FormulaC15H24N2OSi
Molecular Weight276.46 g/mol
Exact Mass276.17
IUPAC Name2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCc1ccc2c(cnn2COCC[Si](C)(C)C)c1C
InChIInChI=1S/C15H24N2OSi/c1-12-6-7-15-14(13(12)2)10-16-17(15)11-18-8-9-19(3,4)5/h6-7,10H,8-9,11H2,1-5H3
InChIKeyBBKOCTOKCCHKRW-UHFFFAOYSA-N
XLogP3.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 53.97
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 2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane (CID 174041088) is 2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane is Cc1ccc2c(cnn2COCC[Si](C)(C)C)c1C.
What is the InChIKey of 2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is BBKOCTOKCCHKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OSi/c1-12-6-7-15-14(13(12)2)10-16-17(15)11-18-8-9-19(3,4)5/h6-7,10H,8-9,11H2,1-5H3.
What are the key properties of 2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 276.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 174041088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).