trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane

C13H22O2SSi — CID 102085518

IUPACtrimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane
SMILESCc1ccc(S(=O)COCC[Si](C)(C)C)cc1
InChIInChI=1S/C13H22O2SSi/c1-12-5-7-13(8-6-12)16(14)11-15-9-10-17(2,3)4/h5-8H,9-11H2,1-4H3
InChIKeyACTNENNEWXCKHC-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.41
Rot. Bonds6

About trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane

trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane (PubChem CID 102085518) has the molecular formula C13H22O2SSi and a molecular weight of 270.47 g/mol. Its IUPAC name is trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane
PubChem CID102085518
Molecular FormulaC13H22O2SSi
Molecular Weight270.47 g/mol
Exact Mass270.11
IUPAC Nametrimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane
SMILESCc1ccc(S(=O)COCC[Si](C)(C)C)cc1
InChIInChI=1S/C13H22O2SSi/c1-12-5-7-13(8-6-12)16(14)11-15-9-10-17(2,3)4/h5-8H,9-11H2,1-4H3
InChIKeyACTNENNEWXCKHC-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane (CID 102085518) is trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane is Cc1ccc(S(=O)COCC[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane?
The InChIKey is ACTNENNEWXCKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2SSi/c1-12-5-7-13(8-6-12)16(14)11-15-9-10-17(2,3)4/h5-8H,9-11H2,1-4H3.
What are the key properties of trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane?
trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane has a molecular weight of 270.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(4-methylphenyl)sulfinylmethoxy]ethyl]silane is sourced from PubChem (CID 102085518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).