2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane

C26H42O5S2Si2 — CID 19834367

IUPAC2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCc1ccccc1SOSc1ccccc1CC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C26H42O5S2Si2/c1-7-27-34(5,28-8-2)21-19-23-15-11-13-17-25(23)32-31-33-26-18-14-12-16-24(26)20-22-35(6,29-9-3)30-10-4/h11-18H,7-10,19-22H2,1-6H3
InChIKeyKMWZJELPXUPSDN-UHFFFAOYSA-N
MW554.92 g/mol
LogP7.79
Rot. Bonds18

About 2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane

2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane (PubChem CID 19834367) has the molecular formula C26H42O5S2Si2 and a molecular weight of 554.92 g/mol. Its IUPAC name is 2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane.

Molecular Properties

Compound Name2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane
PubChem CID19834367
Molecular FormulaC26H42O5S2Si2
Molecular Weight554.92 g/mol
Exact Mass554.20
IUPAC Name2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane
SMILESCCO[Si](C)(CCc1ccccc1SOSc1ccccc1CC[Si](C)(OCC)OCC)OCC
InChIInChI=1S/C26H42O5S2Si2/c1-7-27-34(5,28-8-2)21-19-23-15-11-13-17-25(23)32-31-33-26-18-14-12-16-24(26)20-22-35(6,29-9-3)30-10-4/h11-18H,7-10,19-22H2,1-6H3
InChIKeyKMWZJELPXUPSDN-UHFFFAOYSA-N
XLogP7.79
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.92
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline
CID 67559581
1-ethyl-2-(2-ethylphenyl)sulfanyloxysulfanylbenzene
CID 18000111
2-[2-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
CID 66883166
3-[2-(benzenesulfonyl)ethylsulfanyl]propyl-diethoxy-methylsilane
CID 90224582
1-(2-fluoroethoxysulfanyl)-2-propylbenzene
CID 91479976
1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol
CID 154190477
diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane
CID 91419516
1-[2-(chloromethyl)phenyl]ethoxy-ethoxy-ethyl-methylsilane
CID 154396111
diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
CID 90171092
2-(triethoxysilylmethyl)benzenethiol
CID 141156182
diethoxy-methyl-undecylsilane
CID 140884401
(2-propylphenyl) thiohypochlorite
CID 144705767

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane?
The IUPAC name of 2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane (CID 19834367) is 2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane.
What is the SMILES notation for 2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane?
The canonical SMILES for 2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane is CCO[Si](C)(CCc1ccccc1SOSc1ccccc1CC[Si](C)(OCC)OCC)OCC.
What is the InChIKey of 2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane?
The InChIKey is KMWZJELPXUPSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O5S2Si2/c1-7-27-34(5,28-8-2)21-19-23-15-11-13-17-25(23)32-31-33-26-18-14-12-16-24(26)20-22-35(6,29-9-3)30-10-4/h11-18H,7-10,19-22H2,1-6H3.
What are the key properties of 2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane?
2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane has a molecular weight of 554.92 g/mol, XLogP of 7.79, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane is sourced from PubChem (CID 19834367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).