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

C18H28F2O2Si — CID 67811810

IUPACtert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCOC(c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C(F)F
InChIInChI=1S/C18H28F2O2Si/c1-18(2,3)23(5,6)22-15-11-10-12-13(15)8-7-9-14(12)16(21-4)17(19)20/h7-9,15-17H,10-11H2,1-6H3
InChIKeyPHWSJQYUMVJZFE-UHFFFAOYSA-N
MW342.50 g/mol
LogP5.65
Rot. Bonds5

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

tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (PubChem CID 67811810) has the molecular formula C18H28F2O2Si and a molecular weight of 342.50 g/mol. Its IUPAC name is tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
PubChem CID67811810
Molecular FormulaC18H28F2O2Si
Molecular Weight342.50 g/mol
Exact Mass342.18
IUPAC Nametert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCOC(c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C(F)F
InChIInChI=1S/C18H28F2O2Si/c1-18(2,3)23(5,6)22-15-11-10-12-13(15)8-7-9-14(12)16(21-4)17(19)20/h7-9,15-17H,10-11H2,1-6H3
InChIKeyPHWSJQYUMVJZFE-UHFFFAOYSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.50
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (CID 67811810) is tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is COC(c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C(F)F.
What is the InChIKey of tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The InChIKey is PHWSJQYUMVJZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2O2Si/c1-18(2,3)23(5,6)22-15-11-10-12-13(15)8-7-9-14(12)16(21-4)17(19)20/h7-9,15-17H,10-11H2,1-6H3.
What are the key properties of tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane has a molecular weight of 342.50 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(2,2-difluoro-1-methoxyethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 67811810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).