trimethyl(1-phenylsulfanylbutoxy)silane

C13H22OSSi — CID 12572060

IUPACtrimethyl(1-phenylsulfanylbutoxy)silane
SMILESCCCC(O[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C13H22OSSi/c1-5-9-13(14-16(2,3)4)15-12-10-7-6-8-11-12/h6-8,10-11,13H,5,9H2,1-4H3
InChIKeyKGQVKDOTMXYZNJ-UHFFFAOYSA-N
MW254.47 g/mol
LogP4.76
Rot. Bonds6

About trimethyl(1-phenylsulfanylbutoxy)silane

trimethyl(1-phenylsulfanylbutoxy)silane (PubChem CID 12572060) has the molecular formula C13H22OSSi and a molecular weight of 254.47 g/mol. Its IUPAC name is trimethyl(1-phenylsulfanylbutoxy)silane.

Molecular Properties

Compound Nametrimethyl(1-phenylsulfanylbutoxy)silane
PubChem CID12572060
Molecular FormulaC13H22OSSi
Molecular Weight254.47 g/mol
Exact Mass254.12
IUPAC Nametrimethyl(1-phenylsulfanylbutoxy)silane
SMILESCCCC(O[Si](C)(C)C)Sc1ccccc1
InChIInChI=1S/C13H22OSSi/c1-5-9-13(14-16(2,3)4)15-12-10-7-6-8-11-12/h6-8,10-11,13H,5,9H2,1-4H3
InChIKeyKGQVKDOTMXYZNJ-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.47
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(Phenylthio)ethanol
CID 69685
Silane, trimethyl((phenylthio)methyl)-
CID 140295
2-(Phenylthio)tetrahydrofuran
CID 361776
Silane, trimethyl(4-(methylthio)phenyl)-
CID 140932
[2-(4-Fluorophenylthiomethoxy)ethyl]trimethylsilane
CID 552758
[(2-Ethoxyethyl)sulfanyl]benzene
CID 271506
5-Phenylsulfanylpentan-1-ol
CID 346015
Silane, trimethyl[2-(phenylthio)ethoxy]-
CID 553448
Phenyl (E)-2-(trimethylsilyl)ethenyl sulfide
CID 11138322
Trimethyl[1-(phenylsulfanyl)prop-2-en-1-yl]silane
CID 12677743
2-(Phenylsulfanyl)propan-1-ol
CID 15563453
1,2-Bis(2-methoxyethylthio) benzene
CID 57502461

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-phenylsulfanylbutoxy)silane?
The IUPAC name of trimethyl(1-phenylsulfanylbutoxy)silane (CID 12572060) is trimethyl(1-phenylsulfanylbutoxy)silane.
What is the SMILES notation for trimethyl(1-phenylsulfanylbutoxy)silane?
The canonical SMILES for trimethyl(1-phenylsulfanylbutoxy)silane is CCCC(O[Si](C)(C)C)Sc1ccccc1.
What is the InChIKey of trimethyl(1-phenylsulfanylbutoxy)silane?
The InChIKey is KGQVKDOTMXYZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSSi/c1-5-9-13(14-16(2,3)4)15-12-10-7-6-8-11-12/h6-8,10-11,13H,5,9H2,1-4H3.
What are the key properties of trimethyl(1-phenylsulfanylbutoxy)silane?
trimethyl(1-phenylsulfanylbutoxy)silane has a molecular weight of 254.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylsulfanylbutoxy)silane is sourced from PubChem (CID 12572060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).