ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate

C8H14O5S — CID 66287956

IUPACethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14O5S/c1-2-13-8(10)7(9)6-3-4-14(11,12)5-6/h6-7,9H,2-5H2,1H3
InChIKeyYIMHRZZRVGEEMO-UHFFFAOYSA-N
MW222.26 g/mol
LogP-0.65
Rot. Bonds3

About ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate

ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate (PubChem CID 66287956) has the molecular formula C8H14O5S and a molecular weight of 222.26 g/mol. Its IUPAC name is ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate
PubChem CID66287956
Molecular FormulaC8H14O5S
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Nameethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14O5S/c1-2-13-8(10)7(9)6-3-4-14(11,12)5-6/h6-7,9H,2-5H2,1H3
InChIKeyYIMHRZZRVGEEMO-UHFFFAOYSA-N
XLogP-0.65
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate (CID 66287956) is ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate is CCOC(=O)C(O)C1CCS(=O)(=O)C1.
What is the InChIKey of ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate?
The InChIKey is YIMHRZZRVGEEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S/c1-2-13-8(10)7(9)6-3-4-14(11,12)5-6/h6-7,9H,2-5H2,1H3.
What are the key properties of ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate?
ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate has a molecular weight of 222.26 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,1-dioxothiolan-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 66287956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).