tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

C21H34O2Si — CID 67813952

IUPACtert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCOC(c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C21H34O2Si/c1-21(2,3)24(5,6)23-19-14-13-16-17(19)11-8-12-18(16)20(22-4)15-9-7-10-15/h8,11-12,15,19-20H,7,9-10,13-14H2,1-6H3
InChIKeyAACRZGWOWGVADE-UHFFFAOYSA-N
MW346.59 g/mol
LogP6.18
Rot. Bonds5

About tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (PubChem CID 67813952) has the molecular formula C21H34O2Si and a molecular weight of 346.59 g/mol. Its IUPAC name is tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
PubChem CID67813952
Molecular FormulaC21H34O2Si
Molecular Weight346.59 g/mol
Exact Mass346.23
IUPAC Nametert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
SMILESCOC(c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C1CCC1
InChIInChI=1S/C21H34O2Si/c1-21(2,3)24(5,6)23-19-14-13-16-17(19)11-8-12-18(16)20(22-4)15-9-7-10-15/h8,11-12,15,19-20H,7,9-10,13-14H2,1-6H3
InChIKeyAACRZGWOWGVADE-UHFFFAOYSA-N
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.59
LogP ≤ 56.18
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-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (CID 67813952) is tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is COC(c1cccc2c1CCC2O[Si](C)(C)C(C)(C)C)C1CCC1.
What is the InChIKey of tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
The InChIKey is AACRZGWOWGVADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2Si/c1-21(2,3)24(5,6)23-19-14-13-16-17(19)11-8-12-18(16)20(22-4)15-9-7-10-15/h8,11-12,15,19-20H,7,9-10,13-14H2,1-6H3.
What are the key properties of tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?
tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane has a molecular weight of 346.59 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[cyclobutyl(methoxy)methyl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 67813952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).