tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane

C19H26O2Si — CID 532661

IUPACtert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H26O2Si/c1-19(2,3)22(4,5)21-18-13-11-17(12-14-18)20-15-16-9-7-6-8-10-16/h6-14H,15H2,1-5H3
InChIKeyJWPICNXCAGVLSA-UHFFFAOYSA-N
MW314.50 g/mol
LogP5.65
Rot. Bonds5

About tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane

tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane (PubChem CID 532661) has the molecular formula C19H26O2Si and a molecular weight of 314.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
PubChem CID532661
Molecular FormulaC19H26O2Si
Molecular Weight314.50 g/mol
Exact Mass314.17
IUPAC Nametert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H26O2Si/c1-19(2,3)22(4,5)21-18-13-11-17(12-14-18)20-15-16-9-7-6-8-10-16/h6-14H,15H2,1-5H3
InChIKeyJWPICNXCAGVLSA-UHFFFAOYSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.50
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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Related Compounds

1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenyl-1-(4-phenylmethoxyphenyl)butan-1-ol
CID 54001098
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl 3-phenylpropanoate
CID 102575732
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]-1-(4-phenylmethoxyphenyl)propane-1,2-diol
CID 11387547
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-oxo-4-phenylmethoxybutanoic acid
CID 68833938
[1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethoxy]-tert-butyl-dimethylsilane
CID 68838926
(NE)-N-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-phenylethylidene]hydroxylamine
CID 59857614
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-triphenylphosphanium bromide
CID 10393091
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(5-bromo-4-methoxy-2-phenylmethoxyphenoxy)-tert-butyl-dimethylsilane
CID 59089862

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane (CID 532661) is tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane is CC(C)(C)[Si](C)(C)Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane?
The InChIKey is JWPICNXCAGVLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2Si/c1-19(2,3)22(4,5)21-18-13-11-17(12-14-18)20-15-16-9-7-6-8-10-16/h6-14H,15H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane?
tert-butyl-dimethyl-(4-phenylmethoxyphenoxy)silane has a molecular weight of 314.50 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-dimethyl-(4-phenylmethoxyphenoxy)silane is sourced from PubChem (CID 532661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).