dibutoxy-methyl-(4-methylsulfanylphenyl)silane

C16H28O2SSi — CID 59711312

IUPACdibutoxy-methyl-(4-methylsulfanylphenyl)silane
SMILESCCCCO[Si](C)(OCCCC)c1ccc(SC)cc1
InChIInChI=1S/C16H28O2SSi/c1-5-7-13-17-20(4,18-14-8-6-2)16-11-9-15(19-3)10-12-16/h9-12H,5-8,13-14H2,1-4H3
InChIKeyMEYYPILNCFYGIM-UHFFFAOYSA-N
MW312.55 g/mol
LogP4.32
Rot. Bonds10

About dibutoxy-methyl-(4-methylsulfanylphenyl)silane

dibutoxy-methyl-(4-methylsulfanylphenyl)silane (PubChem CID 59711312) has the molecular formula C16H28O2SSi and a molecular weight of 312.55 g/mol. Its IUPAC name is dibutoxy-methyl-(4-methylsulfanylphenyl)silane.

Molecular Properties

Compound Namedibutoxy-methyl-(4-methylsulfanylphenyl)silane
PubChem CID59711312
Molecular FormulaC16H28O2SSi
Molecular Weight312.55 g/mol
Exact Mass312.16
IUPAC Namedibutoxy-methyl-(4-methylsulfanylphenyl)silane
SMILESCCCCO[Si](C)(OCCCC)c1ccc(SC)cc1
InChIInChI=1S/C16H28O2SSi/c1-5-7-13-17-20(4,18-14-8-6-2)16-11-9-15(19-3)10-12-16/h9-12H,5-8,13-14H2,1-4H3
InChIKeyMEYYPILNCFYGIM-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Silane, trimethyl((phenylthio)methyl)-
CID 140295
Silane, trimethyl(4-(methylthio)phenyl)-
CID 140932
[2-(4-Fluorophenylthiomethoxy)ethyl]trimethylsilane
CID 552758
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Phenyl (E)-2-(trimethylsilyl)ethenyl sulfide
CID 11138322
Silane, trimethyl[1-(phenylthio)ethenyl]-
CID 11138323
Trimethyl[1-(phenylsulfanyl)prop-2-en-1-yl]silane
CID 12677743
dibutoxy-[(E)-2-phenylsulfanylethenyl]borane
CID 5382757
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
Trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane
CID 10900155
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
Trimethyl(1-phenylsulfanylhexyl)silane
CID 12430854

Frequently Asked Questions

What is the IUPAC name of dibutoxy-methyl-(4-methylsulfanylphenyl)silane?
The IUPAC name of dibutoxy-methyl-(4-methylsulfanylphenyl)silane (CID 59711312) is dibutoxy-methyl-(4-methylsulfanylphenyl)silane.
What is the SMILES notation for dibutoxy-methyl-(4-methylsulfanylphenyl)silane?
The canonical SMILES for dibutoxy-methyl-(4-methylsulfanylphenyl)silane is CCCCO[Si](C)(OCCCC)c1ccc(SC)cc1.
What is the InChIKey of dibutoxy-methyl-(4-methylsulfanylphenyl)silane?
The InChIKey is MEYYPILNCFYGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2SSi/c1-5-7-13-17-20(4,18-14-8-6-2)16-11-9-15(19-3)10-12-16/h9-12H,5-8,13-14H2,1-4H3.
What are the key properties of dibutoxy-methyl-(4-methylsulfanylphenyl)silane?
dibutoxy-methyl-(4-methylsulfanylphenyl)silane has a molecular weight of 312.55 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-methyl-(4-methylsulfanylphenyl)silane is sourced from PubChem (CID 59711312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).