trimethyl-[phenyl(phenylsulfanyl)methyl]silane

C16H20SSi — CID 12641102

IUPACtrimethyl-[phenyl(phenylsulfanyl)methyl]silane
SMILESC[Si](C)(C)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H20SSi/c1-18(2,3)16(14-10-6-4-7-11-14)17-15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyVEJOWUWMTLLBLO-UHFFFAOYSA-N
MW272.49 g/mol
LogP5.40
Rot. Bonds4

About trimethyl-[phenyl(phenylsulfanyl)methyl]silane

trimethyl-[phenyl(phenylsulfanyl)methyl]silane (PubChem CID 12641102) has the molecular formula C16H20SSi and a molecular weight of 272.49 g/mol. Its IUPAC name is trimethyl-[phenyl(phenylsulfanyl)methyl]silane.

Molecular Properties

Compound Nametrimethyl-[phenyl(phenylsulfanyl)methyl]silane
PubChem CID12641102
Molecular FormulaC16H20SSi
Molecular Weight272.49 g/mol
Exact Mass272.11
IUPAC Nametrimethyl-[phenyl(phenylsulfanyl)methyl]silane
SMILESC[Si](C)(C)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H20SSi/c1-18(2,3)16(14-10-6-4-7-11-14)17-15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyVEJOWUWMTLLBLO-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[phenyl(phenylsulfanyl)methyl]silane?
The IUPAC name of trimethyl-[phenyl(phenylsulfanyl)methyl]silane (CID 12641102) is trimethyl-[phenyl(phenylsulfanyl)methyl]silane.
What is the SMILES notation for trimethyl-[phenyl(phenylsulfanyl)methyl]silane?
The canonical SMILES for trimethyl-[phenyl(phenylsulfanyl)methyl]silane is C[Si](C)(C)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of trimethyl-[phenyl(phenylsulfanyl)methyl]silane?
The InChIKey is VEJOWUWMTLLBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20SSi/c1-18(2,3)16(14-10-6-4-7-11-14)17-15-12-8-5-9-13-15/h4-13,16H,1-3H3.
What are the key properties of trimethyl-[phenyl(phenylsulfanyl)methyl]silane?
trimethyl-[phenyl(phenylsulfanyl)methyl]silane has a molecular weight of 272.49 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[phenyl(phenylsulfanyl)methyl]silane is sourced from PubChem (CID 12641102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).