tert-butyl-diphenyl-(thian-4-yloxy)silane

C21H28OSSi — CID 15936419

IUPACtert-butyl-diphenyl-(thian-4-yloxy)silane
SMILESCC(C)(C)[Si](OC1CCSCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28OSSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22-18-14-16-23-17-15-18/h4-13,18H,14-17H2,1-3H3
InChIKeyUUULPYWFPXEXJI-UHFFFAOYSA-N
MW356.61 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl-diphenyl-(thian-4-yloxy)silane

tert-butyl-diphenyl-(thian-4-yloxy)silane (PubChem CID 15936419) has the molecular formula C21H28OSSi and a molecular weight of 356.61 g/mol. Its IUPAC name is tert-butyl-diphenyl-(thian-4-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(thian-4-yloxy)silane
PubChem CID15936419
Molecular FormulaC21H28OSSi
Molecular Weight356.61 g/mol
Exact Mass356.16
IUPAC Nametert-butyl-diphenyl-(thian-4-yloxy)silane
SMILESCC(C)(C)[Si](OC1CCSCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28OSSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22-18-14-16-23-17-15-18/h4-13,18H,14-17H2,1-3H3
InChIKeyUUULPYWFPXEXJI-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 54.46
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

Tert-butyl-(4-methyl-5-pentylsulfanylpentoxy)-diphenylsilane
CID 168266633
Tert-butyl-diphenyl-propan-2-yloxysilane
CID 66774067
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
(E)-1-(t-BUTYLDIPHENYLSILYLOXY)-7-(1,3-DITHIA-2-CYCLOHEXYL)-6-FLUORO-5-HEPTENE
CID 18652647
tert-butyl-[(Z)-7-(1,3-dithian-2-yl)-6-fluorohept-5-enoxy]-diphenylsilane
CID 19752496
1-(t-Butyldiphenylsilyloxy)-7-(1,3-dithia-2-cyclohexyl)-6-fluoro-5-heptene
CID 53748011
1-(t-Butyldiphenylsilyoxy)-7-(1,3-dithia-2-cyclohexyl)-5-fluoro-5-heptene
CID 54411416
tert-butyl-[(E)-7-(1,3-dithian-2-yl)-5-fluorohept-5-enoxy]-diphenylsilane
CID 139774219
Tert-butyl-(1-oxothian-4-yl)oxy-diphenylsilane
CID 10981586
tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-diphenylsilane
CID 10982624
tert-butyl-dimethyl-[(Z,2R)-4-phenylsulfanylbut-3-en-2-yl]oxysilane
CID 10990080

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(thian-4-yloxy)silane?
The IUPAC name of tert-butyl-diphenyl-(thian-4-yloxy)silane (CID 15936419) is tert-butyl-diphenyl-(thian-4-yloxy)silane.
What is the SMILES notation for tert-butyl-diphenyl-(thian-4-yloxy)silane?
The canonical SMILES for tert-butyl-diphenyl-(thian-4-yloxy)silane is CC(C)(C)[Si](OC1CCSCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(thian-4-yloxy)silane?
The InChIKey is UUULPYWFPXEXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28OSSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22-18-14-16-23-17-15-18/h4-13,18H,14-17H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-(thian-4-yloxy)silane?
tert-butyl-diphenyl-(thian-4-yloxy)silane has a molecular weight of 356.61 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(thian-4-yloxy)silane is sourced from PubChem (CID 15936419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).