methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate

C13H12O6 — CID 15470690

IUPACmethyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC12C=CC(=O)C=C2C
InChIInChI=1S/C13H12O6/c1-7-6-8(14)4-5-13(7)9(11(15)18-3)10(17-2)12(16)19-13/h4-6H,1-3H3
InChIKeyYNEHCNYFVGCHFG-UHFFFAOYSA-N
MW264.23 g/mol
LogP0.44
Rot. Bonds2

About methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate

methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate (PubChem CID 15470690) has the molecular formula C13H12O6 and a molecular weight of 264.23 g/mol. Its IUPAC name is methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
PubChem CID15470690
Molecular FormulaC13H12O6
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Namemethyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC12C=CC(=O)C=C2C
InChIInChI=1S/C13H12O6/c1-7-6-8(14)4-5-13(7)9(11(15)18-3)10(17-2)12(16)19-13/h4-6H,1-3H3
InChIKeyYNEHCNYFVGCHFG-UHFFFAOYSA-N
XLogP0.44
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate with MolForge

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Related Compounds

Ethyl 2,2-dimethyl-4-oxo-3,4-dihydro-2h-pyran-6-carboxylate
CID 225938
Methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
CID 2763379
(5S,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]deca-3,7-diene-2,6-dione
CID 135040962
dimethyl (Z)-2-(2,5-dimethyl-3-oxofuran-2-yl)but-2-enedioate
CID 146018832
Methyl 9-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
CID 10852161
Methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
CID 15470692
[(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
CID 23255408
ethenyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate
CID 140133613
3-(5-Acetyl-4-acetyloxy-5-methoxycyclohexa-1,3-dien-1-yl)prop-2-enoic acid
CID 142780215
3-(2-methyl-3H-furan-2-yl)furan-2,5-dione
CID 154160026
Methyl 8-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
CID 10686081
pent-4-enyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate
CID 11831475

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The IUPAC name of methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate (CID 15470690) is methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate.
What is the SMILES notation for methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The canonical SMILES for methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate is COC(=O)C1=C(OC)C(=O)OC12C=CC(=O)C=C2C.
What is the InChIKey of methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The InChIKey is YNEHCNYFVGCHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O6/c1-7-6-8(14)4-5-13(7)9(11(15)18-3)10(17-2)12(16)19-13/h4-6H,1-3H3.
What are the key properties of methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate has a molecular weight of 264.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-6-methyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate is sourced from PubChem (CID 15470690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).