ethyl 2-oxo-1,3-dioxolane-4-carboxylate

C6H8O5 — CID 67124520

IUPACethyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)C1COC(=O)O1
InChIInChI=1S/C6H8O5/c1-2-9-5(7)4-3-10-6(8)11-4/h4H,2-3H2,1H3
InChIKeyUQQOWOMILSLGJO-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.08
Rot. Bonds2

About ethyl 2-oxo-1,3-dioxolane-4-carboxylate

ethyl 2-oxo-1,3-dioxolane-4-carboxylate (PubChem CID 67124520) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is ethyl 2-oxo-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1,3-dioxolane-4-carboxylate
PubChem CID67124520
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Nameethyl 2-oxo-1,3-dioxolane-4-carboxylate
SMILESCCOC(=O)C1COC(=O)O1
InChIInChI=1S/C6H8O5/c1-2-9-5(7)4-3-10-6(8)11-4/h4H,2-3H2,1H3
InChIKeyUQQOWOMILSLGJO-UHFFFAOYSA-N
XLogP0.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1,3-dioxolane-4-carboxylate?
The IUPAC name of ethyl 2-oxo-1,3-dioxolane-4-carboxylate (CID 67124520) is ethyl 2-oxo-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1,3-dioxolane-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-1,3-dioxolane-4-carboxylate is CCOC(=O)C1COC(=O)O1.
What is the InChIKey of ethyl 2-oxo-1,3-dioxolane-4-carboxylate?
The InChIKey is UQQOWOMILSLGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-2-9-5(7)4-3-10-6(8)11-4/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-oxo-1,3-dioxolane-4-carboxylate?
ethyl 2-oxo-1,3-dioxolane-4-carboxylate has a molecular weight of 160.12 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 67124520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).