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

C14H14O6 — CID 15470692

IUPACmethyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC12C=C(C)C(=O)C=C2C
InChIInChI=1S/C14H14O6/c1-7-6-14(8(2)5-9(7)15)10(12(16)19-4)11(18-3)13(17)20-14/h5-6H,1-4H3
InChIKeyVVXUHWPNGCTTHN-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.83
Rot. Bonds2

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

methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate (PubChem CID 15470692) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
PubChem CID15470692
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Namemethyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
SMILESCOC(=O)C1=C(OC)C(=O)OC12C=C(C)C(=O)C=C2C
InChIInChI=1S/C14H14O6/c1-7-6-14(8(2)5-9(7)15)10(12(16)19-4)11(18-3)13(17)20-14/h5-6H,1-4H3
InChIKeyVVXUHWPNGCTTHN-UHFFFAOYSA-N
XLogP0.83
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Butopyronoxyl
CID 10760
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
methyl 2,4-dimethyl-3-oxo-5-[(E)-pent-2-en-2-yl]furan-2-carboxylate
CID 132487777
Dimethyl 3-ethyl-5-oxofuran-2,2-dicarboxylate
CID 135031797
(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
Ethyl 3-methoxy-5,7-dimethyl-2-oxo-8-oxabicyclo[3.2.1]octa-3,6-diene-6-carboxylate
CID 164685822
Methyl 9-tert-butyl-3-methoxy-2,6-dioxo-1-oxaspiro[4.5]deca-3,7,9-triene-4-carboxylate
CID 10852161
[(1S,5R)-5-acetyloxy-5-(methoxymethyl)-4-oxocyclopent-2-en-1-yl] acetate
CID 23255408
butyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate;methoxymethane
CID 18997487
Dimethyl 3-methyl-4-oxopyran-2,5-dicarboxylate
CID 121422036

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The IUPAC name of methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate (CID 15470692) is methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate.
What is the SMILES notation for methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The canonical SMILES for methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate is COC(=O)C1=C(OC)C(=O)OC12C=C(C)C(=O)C=C2C.
What is the InChIKey of methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The InChIKey is VVXUHWPNGCTTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c1-7-6-14(8(2)5-9(7)15)10(12(16)19-4)11(18-3)13(17)20-14/h5-6H,1-4H3.
What are the key properties of methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate has a molecular weight of 278.26 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-6,9-dimethyl-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate is sourced from PubChem (CID 15470692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).