tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane

C21H28OSi — CID 86054113

IUPACtert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane
SMILESC=C(c1ccccc1)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C21H28OSi/c1-17(19-12-8-7-9-13-19)20-14-10-11-18(15-20)16-22-23(5,6)21(2,3)4/h7-15H,1,16H2,2-6H3
InChIKeyMYFKFDIWTKIUDJ-UHFFFAOYSA-N
MW324.54 g/mol
LogP6.27
Rot. Bonds5

About tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane

tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane (PubChem CID 86054113) has the molecular formula C21H28OSi and a molecular weight of 324.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane
PubChem CID86054113
Molecular FormulaC21H28OSi
Molecular Weight324.54 g/mol
Exact Mass324.19
IUPAC Nametert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane
SMILESC=C(c1ccccc1)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C21H28OSi/c1-17(19-12-8-7-9-13-19)20-14-10-11-18(15-20)16-22-23(5,6)21(2,3)4/h7-15H,1,16H2,2-6H3
InChIKeyMYFKFDIWTKIUDJ-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.54
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanone
CID 171363881
tert-butyl-[2-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenoxy]-2-phenylethoxy]-dimethylsilane
CID 21224724
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one
CID 70662263
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanamine
CID 22049979
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
tert-butyl-dimethyl-[[3-(2-methylprop-2-enoxy)phenyl]methoxy]silane
CID 57096912
[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
CID 159353997
3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
CID 22050298
tert-butyl-(deuteriomethyl)-methyl-phenylmethoxysilane
CID 11075026
benzyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxybenzoate
CID 19372203

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane (CID 86054113) is tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane is C=C(c1ccccc1)c1cccc(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane?
The InChIKey is MYFKFDIWTKIUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28OSi/c1-17(19-12-8-7-9-13-19)20-14-10-11-18(15-20)16-22-23(5,6)21(2,3)4/h7-15H,1,16H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane?
tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane has a molecular weight of 324.54 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane is sourced from PubChem (CID 86054113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).