ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate

C10H22O2SSi — CID 160848990

IUPACethyl 2-(3-trimethylsilylpropylsulfanyl)acetate
SMILESCCOC(=O)CSCCC[Si](C)(C)C
InChIInChI=1S/C10H22O2SSi/c1-5-12-10(11)9-13-7-6-8-14(2,3)4/h5-9H2,1-4H3
InChIKeySIZZQHXQRABZDQ-UHFFFAOYSA-N
MW234.44 g/mol
LogP3.01
Rot. Bonds7

About ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate

ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate (PubChem CID 160848990) has the molecular formula C10H22O2SSi and a molecular weight of 234.44 g/mol. Its IUPAC name is ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-trimethylsilylpropylsulfanyl)acetate
PubChem CID160848990
Molecular FormulaC10H22O2SSi
Molecular Weight234.44 g/mol
Exact Mass234.11
IUPAC Nameethyl 2-(3-trimethylsilylpropylsulfanyl)acetate
SMILESCCOC(=O)CSCCC[Si](C)(C)C
InChIInChI=1S/C10H22O2SSi/c1-5-12-10(11)9-13-7-6-8-14(2,3)4/h5-9H2,1-4H3
InChIKeySIZZQHXQRABZDQ-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 53.01
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-(3-trimethylsilylpropylsulfanyl)acetate?
The IUPAC name of ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate (CID 160848990) is ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate?
The canonical SMILES for ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate is CCOC(=O)CSCCC[Si](C)(C)C.
What is the InChIKey of ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate?
The InChIKey is SIZZQHXQRABZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2SSi/c1-5-12-10(11)9-13-7-6-8-14(2,3)4/h5-9H2,1-4H3.
What are the key properties of ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate?
ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate has a molecular weight of 234.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-trimethylsilylpropylsulfanyl)acetate is sourced from PubChem (CID 160848990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).