ethyl 2-(2-ethoxyethylsulfonyl)acetate

C8H16O5S — CID 20543292

IUPACethyl 2-(2-ethoxyethylsulfonyl)acetate
SMILESCCOCCS(=O)(=O)CC(=O)OCC
InChIInChI=1S/C8H16O5S/c1-3-12-5-6-14(10,11)7-8(9)13-4-2/h3-7H2,1-2H3
InChIKeyVHOUCSBISVIEEP-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.00
Rot. Bonds7

About ethyl 2-(2-ethoxyethylsulfonyl)acetate

ethyl 2-(2-ethoxyethylsulfonyl)acetate (PubChem CID 20543292) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is ethyl 2-(2-ethoxyethylsulfonyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxyethylsulfonyl)acetate
PubChem CID20543292
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Nameethyl 2-(2-ethoxyethylsulfonyl)acetate
SMILESCCOCCS(=O)(=O)CC(=O)OCC
InChIInChI=1S/C8H16O5S/c1-3-12-5-6-14(10,11)7-8(9)13-4-2/h3-7H2,1-2H3
InChIKeyVHOUCSBISVIEEP-UHFFFAOYSA-N
XLogP0.00
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 78201
CID 78201
CID 2759918
CID 2759918
CID 222302
CID 222302
CID 77377
CID 77377
CID 21343406
CID 21343406
CID 320830
CID 320830
CID 13011574
CID 13011574
CID 14931217
CID 14931217
CID 81813
CID 81813
CID 24706954
CID 24706954
CID 12463460
CID 12463460
CID 56604723
CID 56604723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxyethylsulfonyl)acetate?
The IUPAC name of ethyl 2-(2-ethoxyethylsulfonyl)acetate (CID 20543292) is ethyl 2-(2-ethoxyethylsulfonyl)acetate.
What is the SMILES notation for ethyl 2-(2-ethoxyethylsulfonyl)acetate?
The canonical SMILES for ethyl 2-(2-ethoxyethylsulfonyl)acetate is CCOCCS(=O)(=O)CC(=O)OCC.
What is the InChIKey of ethyl 2-(2-ethoxyethylsulfonyl)acetate?
The InChIKey is VHOUCSBISVIEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O5S/c1-3-12-5-6-14(10,11)7-8(9)13-4-2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxyethylsulfonyl)acetate?
ethyl 2-(2-ethoxyethylsulfonyl)acetate has a molecular weight of 224.28 g/mol, XLogP of 0.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxyethylsulfonyl)acetate is sourced from PubChem (CID 20543292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).