methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate

C11H14O4 — CID 15022261

IUPACmethyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate
SMILESCOC(=O)C12CCC1C(=O)C=C(OC)C2
InChIInChI=1S/C11H14O4/c1-14-7-5-9(12)8-3-4-11(8,6-7)10(13)15-2/h5,8H,3-4,6H2,1-2H3
InChIKeyJSFSJFMUEVRITO-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.06
Rot. Bonds2

About methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate

methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate (PubChem CID 15022261) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate
PubChem CID15022261
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate
SMILESCOC(=O)C12CCC1C(=O)C=C(OC)C2
InChIInChI=1S/C11H14O4/c1-14-7-5-9(12)8-3-4-11(8,6-7)10(13)15-2/h5,8H,3-4,6H2,1-2H3
InChIKeyJSFSJFMUEVRITO-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate with MolForge

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Related Compounds

Bicyclo[4.2.0]oct-2-en-4,5-dicarboxylic acid, 1,2,7,7-tetramethyl-8-oxo-, dimethyl ester
CID 596946
methyl 5-methoxy-7-oxo-2,3,4,7a-tetrahydro-1H-indene-3a-carboxylate
CID 15022262
methyl (2R)-7,10-dioxotricyclo[4.4.0.02,5]deca-3,8-diene-2-carboxylate
CID 134965176
methyl (1S,6R)-7-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate
CID 164683527
methyl (1R,6S,7R)-7-(2-hydroxyethyl)-5-methoxy-3-oxobicyclo[4.2.0]oct-4-ene-1-carboxylate
CID 10967035
methyl (1R,6S,7R)-7-(2-hydroxyethyl)-5-methoxy-8,8-dimethyl-3-oxobicyclo[4.2.0]oct-4-ene-1-carboxylate
CID 11129750
2-methylpropyl 5-(2-methylpropoxy)-7-oxo-2,3,4,7a-tetrahydro-1H-indene-3a-carboxylate
CID 11130635
methyl 5-methoxy-2-methyl-7-oxo-2,3,4,7a-tetrahydro-1H-indene-3a-carboxylate
CID 67920232
propan-2-yl 5-methoxy-7-oxo-2,3,4,7a-tetrahydro-1H-indene-3a-carboxylate
CID 67920244
methyl 5-methoxy-1-methyl-7-oxo-2,3,4,7a-tetrahydro-1H-indene-3a-carboxylate
CID 67920246
methyl (1R,6S,7R)-7-(2-hydroxyethyl)-3-methoxy-8,8-dimethyl-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate
CID 10858953
methyl (1R,6S,7R)-7-(2-hydroxyethyl)-3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate
CID 11118604

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate?
The IUPAC name of methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate (CID 15022261) is methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate.
What is the SMILES notation for methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate?
The canonical SMILES for methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate is COC(=O)C12CCC1C(=O)C=C(OC)C2.
What is the InChIKey of methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate?
The InChIKey is JSFSJFMUEVRITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-7-5-9(12)8-3-4-11(8,6-7)10(13)15-2/h5,8H,3-4,6H2,1-2H3.
What are the key properties of methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate?
methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carboxylate is sourced from PubChem (CID 15022261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).