tributoxy(2-phenylsulfanylethyl)silane

C20H36O3SSi — CID 20570249

IUPACtributoxy(2-phenylsulfanylethyl)silane
SMILESCCCCO[Si](CCSc1ccccc1)(OCCCC)OCCCC
InChIInChI=1S/C20H36O3SSi/c1-4-7-15-21-25(22-16-8-5-2,23-17-9-6-3)19-18-24-20-13-11-10-12-14-20/h10-14H,4-9,15-19H2,1-3H3
InChIKeyXEQISMNAUJVHBU-UHFFFAOYSA-N
MW384.66 g/mol
LogP6.17
Rot. Bonds16

About tributoxy(2-phenylsulfanylethyl)silane

tributoxy(2-phenylsulfanylethyl)silane (PubChem CID 20570249) has the molecular formula C20H36O3SSi and a molecular weight of 384.66 g/mol. Its IUPAC name is tributoxy(2-phenylsulfanylethyl)silane.

Molecular Properties

Compound Nametributoxy(2-phenylsulfanylethyl)silane
PubChem CID20570249
Molecular FormulaC20H36O3SSi
Molecular Weight384.66 g/mol
Exact Mass384.22
IUPAC Nametributoxy(2-phenylsulfanylethyl)silane
SMILESCCCCO[Si](CCSc1ccccc1)(OCCCC)OCCCC
InChIInChI=1S/C20H36O3SSi/c1-4-7-15-21-25(22-16-8-5-2,23-17-9-6-3)19-18-24-20-13-11-10-12-14-20/h10-14H,4-9,15-19H2,1-3H3
InChIKeyXEQISMNAUJVHBU-UHFFFAOYSA-N
XLogP6.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.66
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
Trimethyl[1-(phenylsulfanyl)prop-2-en-1-yl]silane
CID 12677743
1-Butoxy-2-phenylmercaptoethane
CID 271491
dibutoxy-[(E)-2-phenylsulfanylethenyl]borane
CID 5382757
Trimethyl-(2-(phenylthio)methoxyethyl)silane
CID 553319
[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
Trimethyl(1-phenylsulfanylhexyl)silane
CID 12430854
Trimethyl[1-(phenylsulfanyl)propyl]silane
CID 12572040
Trimethyl(1-phenylsulfanylpentyl)silane
CID 12572042
Trimethyl[1-(phenylsulfanyl)heptyl]silane
CID 12572044
Trimethyl(1-phenylsulfanyltridecyl)silane
CID 12572045
(3-Phenylthiopropyl)trimethylsilane
CID 13223562

Frequently Asked Questions

What is the IUPAC name of tributoxy(2-phenylsulfanylethyl)silane?
The IUPAC name of tributoxy(2-phenylsulfanylethyl)silane (CID 20570249) is tributoxy(2-phenylsulfanylethyl)silane.
What is the SMILES notation for tributoxy(2-phenylsulfanylethyl)silane?
The canonical SMILES for tributoxy(2-phenylsulfanylethyl)silane is CCCCO[Si](CCSc1ccccc1)(OCCCC)OCCCC.
What is the InChIKey of tributoxy(2-phenylsulfanylethyl)silane?
The InChIKey is XEQISMNAUJVHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3SSi/c1-4-7-15-21-25(22-16-8-5-2,23-17-9-6-3)19-18-24-20-13-11-10-12-14-20/h10-14H,4-9,15-19H2,1-3H3.
What are the key properties of tributoxy(2-phenylsulfanylethyl)silane?
tributoxy(2-phenylsulfanylethyl)silane has a molecular weight of 384.66 g/mol, XLogP of 6.17, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributoxy(2-phenylsulfanylethyl)silane is sourced from PubChem (CID 20570249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).