trimethyl(1-phenylsulfanyltridecyl)silane

C22H40SSi — CID 12572045

IUPACtrimethyl(1-phenylsulfanyltridecyl)silane
SMILESCCCCCCCCCCCCC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C22H40SSi/c1-5-6-7-8-9-10-11-12-13-17-20-22(24(2,3)4)23-21-18-15-14-16-19-21/h14-16,18-19,22H,5-13,17,20H2,1-4H3
InChIKeyAALMMZBPDLPPDC-UHFFFAOYSA-N
MW364.72 g/mol
LogP8.34
Rot. Bonds14

About trimethyl(1-phenylsulfanyltridecyl)silane

trimethyl(1-phenylsulfanyltridecyl)silane (PubChem CID 12572045) has the molecular formula C22H40SSi and a molecular weight of 364.72 g/mol. Its IUPAC name is trimethyl(1-phenylsulfanyltridecyl)silane.

Molecular Properties

Compound Nametrimethyl(1-phenylsulfanyltridecyl)silane
PubChem CID12572045
Molecular FormulaC22H40SSi
Molecular Weight364.72 g/mol
Exact Mass364.26
IUPAC Nametrimethyl(1-phenylsulfanyltridecyl)silane
SMILESCCCCCCCCCCCCC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C22H40SSi/c1-5-6-7-8-9-10-11-12-13-17-20-22(24(2,3)4)23-21-18-15-14-16-19-21/h14-16,18-19,22H,5-13,17,20H2,1-4H3
InChIKeyAALMMZBPDLPPDC-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.72
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(1-phenylsulfanyltridecyl)silane?
The IUPAC name of trimethyl(1-phenylsulfanyltridecyl)silane (CID 12572045) is trimethyl(1-phenylsulfanyltridecyl)silane.
What is the SMILES notation for trimethyl(1-phenylsulfanyltridecyl)silane?
The canonical SMILES for trimethyl(1-phenylsulfanyltridecyl)silane is CCCCCCCCCCCCC(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl(1-phenylsulfanyltridecyl)silane?
The InChIKey is AALMMZBPDLPPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40SSi/c1-5-6-7-8-9-10-11-12-13-17-20-22(24(2,3)4)23-21-18-15-14-16-19-21/h14-16,18-19,22H,5-13,17,20H2,1-4H3.
What are the key properties of trimethyl(1-phenylsulfanyltridecyl)silane?
trimethyl(1-phenylsulfanyltridecyl)silane has a molecular weight of 364.72 g/mol, XLogP of 8.34, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylsulfanyltridecyl)silane is sourced from PubChem (CID 12572045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).