tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane

C21H29FOSi — CID 154714421

IUPACtert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane
SMILESCC(c1ccc(F)cc1)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C21H29FOSi/c1-16(19-11-13-20(22)14-12-19)18-9-7-17(8-10-18)15-23-24(5,6)21(2,3)4/h7-14,16H,15H2,1-6H3
InChIKeyORYDXXDKILHDRZ-UHFFFAOYSA-N
MW344.55 g/mol
LogP6.50
Rot. Bonds5

About tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane

tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane (PubChem CID 154714421) has the molecular formula C21H29FOSi and a molecular weight of 344.55 g/mol. Its IUPAC name is tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane
PubChem CID154714421
Molecular FormulaC21H29FOSi
Molecular Weight344.55 g/mol
Exact Mass344.20
IUPAC Nametert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane
SMILESCC(c1ccc(F)cc1)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C21H29FOSi/c1-16(19-11-13-20(22)14-12-19)18-9-7-17(8-10-18)15-23-24(5,6)21(2,3)4/h7-14,16H,15H2,1-6H3
InChIKeyORYDXXDKILHDRZ-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.55
LogP ≤ 56.50
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

(2-((4-Fluorophenyl)dimethylsilyl)phenyl)methanol
CID 11989534
Silane, trimethyl(2,2,2-trifluoro-1,1-diphenylethoxy)-
CID 11255795
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
Trimethyl[(4-methylphenyl)methoxy]silane
CID 13063937
4-Methylbenzyl alcohol, tert-butyldimethylsilyl ether
CID 21304531
Dimethyl(diphenylmethoxy)(pentafluorophenyl)silane
CID 4581060
2-Fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91728155
tert-Butyldimethyl((4-(trifluoromethyl)benzyl)oxy)silane
CID 11277728
Dimethyl-prop-2-enyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
CID 11666259
Triethyl-[[4-(trifluoromethyl)phenyl]methoxy]silane
CID 56970310
Tert-butyl-[(3,5-difluorophenyl)methoxy]-dimethylsilane
CID 154720097

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane (CID 154714421) is tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane is CC(c1ccc(F)cc1)c1ccc(CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane?
The InChIKey is ORYDXXDKILHDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FOSi/c1-16(19-11-13-20(22)14-12-19)18-9-7-17(8-10-18)15-23-24(5,6)21(2,3)4/h7-14,16H,15H2,1-6H3.
What are the key properties of tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane?
tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane has a molecular weight of 344.55 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-[1-(4-fluorophenyl)ethyl]phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 154714421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).