ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate

C11H14O5 — CID 15175269

IUPACethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate
SMILESCCOC(=O)C1=C(C)OC2(CCC(=O)O2)C1
InChIInChI=1S/C11H14O5/c1-3-14-10(13)8-6-11(15-7(8)2)5-4-9(12)16-11/h3-6H2,1-2H3
InChIKeyWZPWIQLEEIPVOL-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.28
Rot. Bonds2

About ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate

ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate (PubChem CID 15175269) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate
PubChem CID15175269
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Nameethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate
SMILESCCOC(=O)C1=C(C)OC2(CCC(=O)O2)C1
InChIInChI=1S/C11H14O5/c1-3-14-10(13)8-6-11(15-7(8)2)5-4-9(12)16-11/h3-6H2,1-2H3
InChIKeyWZPWIQLEEIPVOL-UHFFFAOYSA-N
XLogP1.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate?
The IUPAC name of ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate (CID 15175269) is ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate?
The canonical SMILES for ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate is CCOC(=O)C1=C(C)OC2(CCC(=O)O2)C1.
What is the InChIKey of ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate?
The InChIKey is WZPWIQLEEIPVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-3-14-10(13)8-6-11(15-7(8)2)5-4-9(12)16-11/h3-6H2,1-2H3.
What are the key properties of ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate?
ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2-oxo-1,6-dioxaspiro[4.4]non-7-ene-8-carboxylate is sourced from PubChem (CID 15175269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).