trimethyl(1-phenylsulfanyloctan-2-yloxy)silane

C17H30OSSi — CID 139666777

IUPACtrimethyl(1-phenylsulfanyloctan-2-yloxy)silane
SMILESCCCCCCC(CSc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C17H30OSSi/c1-5-6-7-9-12-16(18-20(2,3)4)15-19-17-13-10-8-11-14-17/h8,10-11,13-14,16H,5-7,9,12,15H2,1-4H3
InChIKeyQXDCNBZPYKVQPU-UHFFFAOYSA-N
MW310.58 g/mol
LogP5.97
Rot. Bonds10

About trimethyl(1-phenylsulfanyloctan-2-yloxy)silane

trimethyl(1-phenylsulfanyloctan-2-yloxy)silane (PubChem CID 139666777) has the molecular formula C17H30OSSi and a molecular weight of 310.58 g/mol. Its IUPAC name is trimethyl(1-phenylsulfanyloctan-2-yloxy)silane.

Molecular Properties

Compound Nametrimethyl(1-phenylsulfanyloctan-2-yloxy)silane
PubChem CID139666777
Molecular FormulaC17H30OSSi
Molecular Weight310.58 g/mol
Exact Mass310.18
IUPAC Nametrimethyl(1-phenylsulfanyloctan-2-yloxy)silane
SMILESCCCCCCC(CSc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C17H30OSSi/c1-5-6-7-9-12-16(18-20(2,3)4)15-19-17-13-10-8-11-14-17/h8,10-11,13-14,16H,5-7,9,12,15H2,1-4H3
InChIKeyQXDCNBZPYKVQPU-UHFFFAOYSA-N
XLogP5.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.58
LogP ≤ 55.97
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

Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
1-(Phenylsulfanyl)-2-octanol
CID 11276474
[(1-Methoxynonyl)sulfanyl]benzene
CID 9993101
Triethoxy(2-phenylsulfanylethyl)silane
CID 13932527
3-(t-Butyldi-methylsiloxy)-1-butenyl phenyl sulfide
CID 67779864
(r)-3-(t-Butyldimethylsilanyloxy)butyl phenylsulfide
CID 101617074
Triethoxy(3-phenylsulfanylpropyl)silane
CID 151300368
(2-Fluoro-2-phenylsulfanylethoxy)-trimethylsilane
CID 151615759
(1-Fluoro-2-phenylsulfanylethoxy)-trimethylsilane
CID 164806355
1-(Phenylsulfanyl)heptan-2-ol
CID 13307674
tert-butyl-dimethyl-[(E)-4-phenylsulfanylbut-3-enoxy]silane
CID 10637592
[(E)-2,4-dimethyl-5-phenylsulfanylpent-3-enoxy]-trimethylsilane
CID 10946332

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-phenylsulfanyloctan-2-yloxy)silane?
The IUPAC name of trimethyl(1-phenylsulfanyloctan-2-yloxy)silane (CID 139666777) is trimethyl(1-phenylsulfanyloctan-2-yloxy)silane.
What is the SMILES notation for trimethyl(1-phenylsulfanyloctan-2-yloxy)silane?
The canonical SMILES for trimethyl(1-phenylsulfanyloctan-2-yloxy)silane is CCCCCCC(CSc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of trimethyl(1-phenylsulfanyloctan-2-yloxy)silane?
The InChIKey is QXDCNBZPYKVQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSSi/c1-5-6-7-9-12-16(18-20(2,3)4)15-19-17-13-10-8-11-14-17/h8,10-11,13-14,16H,5-7,9,12,15H2,1-4H3.
What are the key properties of trimethyl(1-phenylsulfanyloctan-2-yloxy)silane?
trimethyl(1-phenylsulfanyloctan-2-yloxy)silane has a molecular weight of 310.58 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylsulfanyloctan-2-yloxy)silane is sourced from PubChem (CID 139666777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).