tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane

C28H44O2Si2 — CID 66821955

IUPACtert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane
SMILESC=C(c1cccc(CO[Si](C)(C)C(C)(C)C)c1)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C28H44O2Si2/c1-22(25-16-12-14-23(18-25)20-29-31(8,9)27(2,3)4)26-17-13-15-24(19-26)21-30-32(10,11)28(5,6)7/h12-19H,1,20-21H2,2-11H3
InChIKeyQFVARGBFYYOECB-UHFFFAOYSA-N
MW468.83 g/mol
LogP8.79
Rot. Bonds8

About tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane

tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane (PubChem CID 66821955) has the molecular formula C28H44O2Si2 and a molecular weight of 468.83 g/mol. Its IUPAC name is tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane
PubChem CID66821955
Molecular FormulaC28H44O2Si2
Molecular Weight468.83 g/mol
Exact Mass468.29
IUPAC Nametert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane
SMILESC=C(c1cccc(CO[Si](C)(C)C(C)(C)C)c1)c1cccc(CO[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C28H44O2Si2/c1-22(25-16-12-14-23(18-25)20-29-31(8,9)27(2,3)4)26-17-13-15-24(19-26)21-30-32(10,11)28(5,6)7/h12-19H,1,20-21H2,2-11H3
InChIKeyQFVARGBFYYOECB-UHFFFAOYSA-N
XLogP8.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.83
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzyloxytrimethylsilane
CID 518982
Silane, (2-chloroethyl)methylbis(phenylmethoxy)-
CID 94518
{2-[Dimethyl(2-methylphenyl)silyl]phenyl}methanol
CID 11989422
Silane, triethyl(phenylmethoxy)-
CID 563229
Silane, trimethyl(1-phenylethoxy)-
CID 519015
1,2-Ethanediol, phenyl, bis-TMS
CID 530367
1-Propanol, 1-phenyl, TMS
CID 530376
Silane, (1,1-dimethylethyl)dimethyl(phenylmethoxy)-
CID 596642
tert-Butyl-[2-(tertbutyldimethylsilyl)oxy-1-phenylethoxy]dimethylsilane
CID 11100658
4-(Trimethylsilyl)benzhydrol
CID 3551384
(2-(Benzyldimethylsilyl)phenyl)methanol
CID 10658763
(E)-(2-(hydroxymethyl)phenyl) dimethyl(2-phenylethenyl)silane
CID 11989414

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane (CID 66821955) is tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane is C=C(c1cccc(CO[Si](C)(C)C(C)(C)C)c1)c1cccc(CO[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane?
The InChIKey is QFVARGBFYYOECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si2/c1-22(25-16-12-14-23(18-25)20-29-31(8,9)27(2,3)4)26-17-13-15-24(19-26)21-30-32(10,11)28(5,6)7/h12-19H,1,20-21H2,2-11H3.
What are the key properties of tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane?
tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane has a molecular weight of 468.83 g/mol, XLogP of 8.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethenyl]phenyl]methoxy]-dimethylsilane is sourced from PubChem (CID 66821955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).