tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane

C22H32OSSi — CID 135030321

IUPACtert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCC(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H32OSSi/c1-22(2,3)25(4,5)23-18-12-17-21(19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,21H,12,17-18H2,1-5H3
InChIKeyFYAOZSPSYZQKFP-UHFFFAOYSA-N
MW372.65 g/mol
LogP7.32
Rot. Bonds8

About tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane

tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane (PubChem CID 135030321) has the molecular formula C22H32OSSi and a molecular weight of 372.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane
PubChem CID135030321
Molecular FormulaC22H32OSSi
Molecular Weight372.65 g/mol
Exact Mass372.19
IUPAC Nametert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCC(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C22H32OSSi/c1-22(2,3)25(4,5)23-18-12-17-21(19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,21H,12,17-18H2,1-5H3
InChIKeyFYAOZSPSYZQKFP-UHFFFAOYSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.65
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Phenyl-4-(phenylsulfanyl)butan-1-ol
CID 283796
3-[Dimethyl-(1-phenylsulfanylcyclopropyl)silyl]-3-phenylpropan-1-ol
CID 11759668
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
(2S)-2-[(R)-phenyl(phenylsulfanyl)methyl]hexan-1-ol
CID 11012041
tert-butyl-[(Z,3R,4S)-2,4-dimethyl-6-phenyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
CID 11026321
Trimethyl-[(2-phenylsulfanylcyclohex-3-en-1-yl)methoxy]silane
CID 11087634
(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexan-1-ol
CID 11130384
Tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane
CID 12061431
Trimethyl-(2-phenyl-1-phenylsulfanylethyl)silane
CID 12572046
Trimethyl[phenyl(phenylsulfanyl)methyl]silane
CID 12641102
Trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane
CID 12641117
tert-butyl-dimethyl-[(2-phenyl-3,6-dihydro-2H-thiopyran-4-yl)oxy]silane
CID 13615964

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane (CID 135030321) is tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane is CC(C)(C)[Si](C)(C)OCCCC(Sc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane?
The InChIKey is FYAOZSPSYZQKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32OSSi/c1-22(2,3)25(4,5)23-18-12-17-21(19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,21H,12,17-18H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane?
tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane has a molecular weight of 372.65 g/mol, XLogP of 7.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane is sourced from PubChem (CID 135030321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).