trimethyl(1-phenylsulfanylheptyl)silane

C16H28SSi — CID 12572044

IUPACtrimethyl(1-phenylsulfanylheptyl)silane
SMILESCCCCCCC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H28SSi/c1-5-6-7-11-14-16(18(2,3)4)17-15-12-9-8-10-13-15/h8-10,12-13,16H,5-7,11,14H2,1-4H3
InChIKeyYALCKTUCJAOSMC-UHFFFAOYSA-N
MW280.55 g/mol
LogP6.00
Rot. Bonds8

About trimethyl(1-phenylsulfanylheptyl)silane

trimethyl(1-phenylsulfanylheptyl)silane (PubChem CID 12572044) has the molecular formula C16H28SSi and a molecular weight of 280.55 g/mol. Its IUPAC name is trimethyl(1-phenylsulfanylheptyl)silane.

Molecular Properties

Compound Nametrimethyl(1-phenylsulfanylheptyl)silane
PubChem CID12572044
Molecular FormulaC16H28SSi
Molecular Weight280.55 g/mol
Exact Mass280.17
IUPAC Nametrimethyl(1-phenylsulfanylheptyl)silane
SMILESCCCCCCC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H28SSi/c1-5-6-7-11-14-16(18(2,3)4)17-15-12-9-8-10-13-15/h8-10,12-13,16H,5-7,11,14H2,1-4H3
InChIKeyYALCKTUCJAOSMC-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.55
LogP ≤ 56.00
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-phenylsulfanylheptyl)silane?
The IUPAC name of trimethyl(1-phenylsulfanylheptyl)silane (CID 12572044) is trimethyl(1-phenylsulfanylheptyl)silane.
What is the SMILES notation for trimethyl(1-phenylsulfanylheptyl)silane?
The canonical SMILES for trimethyl(1-phenylsulfanylheptyl)silane is CCCCCCC(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl(1-phenylsulfanylheptyl)silane?
The InChIKey is YALCKTUCJAOSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28SSi/c1-5-6-7-11-14-16(18(2,3)4)17-15-12-9-8-10-13-15/h8-10,12-13,16H,5-7,11,14H2,1-4H3.
What are the key properties of trimethyl(1-phenylsulfanylheptyl)silane?
trimethyl(1-phenylsulfanylheptyl)silane has a molecular weight of 280.55 g/mol, XLogP of 6.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylsulfanylheptyl)silane is sourced from PubChem (CID 12572044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).