ethyl 2-(2-trimethylsilylethylsulfanyl)acetate

C9H20O2SSi — CID 10727676

IUPACethyl 2-(2-trimethylsilylethylsulfanyl)acetate
SMILESCCOC(=O)CSCC[Si](C)(C)C
InChIInChI=1S/C9H20O2SSi/c1-5-11-9(10)8-12-6-7-13(2,3)4/h5-8H2,1-4H3
InChIKeyFLFRMFZJEJCTTP-UHFFFAOYSA-N
MW220.41 g/mol
LogP2.62
Rot. Bonds6

About ethyl 2-(2-trimethylsilylethylsulfanyl)acetate

ethyl 2-(2-trimethylsilylethylsulfanyl)acetate (PubChem CID 10727676) has the molecular formula C9H20O2SSi and a molecular weight of 220.41 g/mol. Its IUPAC name is ethyl 2-(2-trimethylsilylethylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-trimethylsilylethylsulfanyl)acetate
PubChem CID10727676
Molecular FormulaC9H20O2SSi
Molecular Weight220.41 g/mol
Exact Mass220.10
IUPAC Nameethyl 2-(2-trimethylsilylethylsulfanyl)acetate
SMILESCCOC(=O)CSCC[Si](C)(C)C
InChIInChI=1S/C9H20O2SSi/c1-5-11-9(10)8-12-6-7-13(2,3)4/h5-8H2,1-4H3
InChIKeyFLFRMFZJEJCTTP-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.41
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl 2-(2-trimethylsilylethylsulfanyl)acetate?
The IUPAC name of ethyl 2-(2-trimethylsilylethylsulfanyl)acetate (CID 10727676) is ethyl 2-(2-trimethylsilylethylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-(2-trimethylsilylethylsulfanyl)acetate?
The canonical SMILES for ethyl 2-(2-trimethylsilylethylsulfanyl)acetate is CCOC(=O)CSCC[Si](C)(C)C.
What is the InChIKey of ethyl 2-(2-trimethylsilylethylsulfanyl)acetate?
The InChIKey is FLFRMFZJEJCTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2SSi/c1-5-11-9(10)8-12-6-7-13(2,3)4/h5-8H2,1-4H3.
What are the key properties of ethyl 2-(2-trimethylsilylethylsulfanyl)acetate?
ethyl 2-(2-trimethylsilylethylsulfanyl)acetate has a molecular weight of 220.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-trimethylsilylethylsulfanyl)acetate is sourced from PubChem (CID 10727676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).