tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

C25H37NO2Si — CID 123807630

IUPACtert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCC(C)(C)COc1ncccc1-c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H37NO2Si/c1-24(2,3)17-27-23-21(13-10-16-26-23)18-11-9-12-20-19(18)14-15-22(20)28-29(7,8)25(4,5)6/h9-13,16,22H,14-15,17H2,1-8H3
InChIKeyHSXSFIJSEVDLEJ-UHFFFAOYSA-N
MW411.66 g/mol
LogP7.18
Rot. Bonds5

About tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (PubChem CID 123807630) has the molecular formula C25H37NO2Si and a molecular weight of 411.66 g/mol. Its IUPAC name is tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
PubChem CID123807630
Molecular FormulaC25H37NO2Si
Molecular Weight411.66 g/mol
Exact Mass411.26
IUPAC Nametert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCC(C)(C)COc1ncccc1-c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H37NO2Si/c1-24(2,3)17-27-23-21(13-10-16-26-23)18-11-9-12-20-19(18)14-15-22(20)28-29(7,8)25(4,5)6/h9-13,16,22H,14-15,17H2,1-8H3
InChIKeyHSXSFIJSEVDLEJ-UHFFFAOYSA-N
XLogP7.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.66
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (CID 123807630) is tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is CC(C)(C)COc1ncccc1-c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The InChIKey is HSXSFIJSEVDLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2Si/c1-24(2,3)17-27-23-21(13-10-16-26-23)18-11-9-12-20-19(18)14-15-22(20)28-29(7,8)25(4,5)6/h9-13,16,22H,14-15,17H2,1-8H3.
What are the key properties of tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane has a molecular weight of 411.66 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[2-(2,2-dimethylpropoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 123807630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).