ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate

C11H14O4 — CID 11830693

IUPACethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)OC12CCCC2
InChIInChI=1S/C11H14O4/c1-2-14-10(13)8-7-9(12)15-11(8)5-3-4-6-11/h7H,2-6H2,1H3
InChIKeyAZVYLLBDIFSHBQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.35
Rot. Bonds2

About ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate

ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate (PubChem CID 11830693) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate
PubChem CID11830693
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate
SMILESCCOC(=O)C1=CC(=O)OC12CCCC2
InChIInChI=1S/C11H14O4/c1-2-14-10(13)8-7-9(12)15-11(8)5-3-4-6-11/h7H,2-6H2,1H3
InChIKeyAZVYLLBDIFSHBQ-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate?
The IUPAC name of ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate (CID 11830693) is ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate is CCOC(=O)C1=CC(=O)OC12CCCC2.
What is the InChIKey of ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate?
The InChIKey is AZVYLLBDIFSHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-14-10(13)8-7-9(12)15-11(8)5-3-4-6-11/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate?
ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1-oxaspiro[4.4]non-3-ene-4-carboxylate is sourced from PubChem (CID 11830693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).