ethyl 2-(2-trimethylsilylethylsulfonyl)acetate

C9H20O4SSi — CID 101109784

IUPACethyl 2-(2-trimethylsilylethylsulfonyl)acetate
SMILESCCOC(=O)CS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C9H20O4SSi/c1-5-13-9(10)8-14(11,12)6-7-15(2,3)4/h5-8H2,1-4H3
InChIKeyMJHRLPJZNMQQPF-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.30
Rot. Bonds6

About ethyl 2-(2-trimethylsilylethylsulfonyl)acetate

ethyl 2-(2-trimethylsilylethylsulfonyl)acetate (PubChem CID 101109784) has the molecular formula C9H20O4SSi and a molecular weight of 252.41 g/mol. Its IUPAC name is ethyl 2-(2-trimethylsilylethylsulfonyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-trimethylsilylethylsulfonyl)acetate
PubChem CID101109784
Molecular FormulaC9H20O4SSi
Molecular Weight252.41 g/mol
Exact Mass252.09
IUPAC Nameethyl 2-(2-trimethylsilylethylsulfonyl)acetate
SMILESCCOC(=O)CS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C9H20O4SSi/c1-5-13-9(10)8-14(11,12)6-7-15(2,3)4/h5-8H2,1-4H3
InChIKeyMJHRLPJZNMQQPF-UHFFFAOYSA-N
XLogP1.30
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-propylsulfonylacetate
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ethyl 2-sulfamoylacetate;hydrochloride
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ethyl 2-[(E)-but-2-enyl]sulfonylacetate
CID 12007544
ethyl (2E)-2-(2-trimethylsilylethylsulfonylimino)acetate
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CID 173132885
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CID 43618414
ethyl 2-[2-[4-(aminomethyl)phenoxy]ethylsulfonyl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-trimethylsilylethylsulfonyl)acetate?
The IUPAC name of ethyl 2-(2-trimethylsilylethylsulfonyl)acetate (CID 101109784) is ethyl 2-(2-trimethylsilylethylsulfonyl)acetate.
What is the SMILES notation for ethyl 2-(2-trimethylsilylethylsulfonyl)acetate?
The canonical SMILES for ethyl 2-(2-trimethylsilylethylsulfonyl)acetate is CCOC(=O)CS(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of ethyl 2-(2-trimethylsilylethylsulfonyl)acetate?
The InChIKey is MJHRLPJZNMQQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4SSi/c1-5-13-9(10)8-14(11,12)6-7-15(2,3)4/h5-8H2,1-4H3.
What are the key properties of ethyl 2-(2-trimethylsilylethylsulfonyl)acetate?
ethyl 2-(2-trimethylsilylethylsulfonyl)acetate has a molecular weight of 252.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-trimethylsilylethylsulfonyl)acetate is sourced from PubChem (CID 101109784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).