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

C12H10O6 — CID 2763379

IUPACmethyl 3-methoxy-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=C2
InChIInChI=1S/C12H10O6/c1-16-9-8(10(14)17-2)12(18-11(9)15)5-3-7(13)4-6-12/h3-6H,1-2H3
InChIKeyYQBSITHZZJCGGU-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.05
Rot. Bonds2

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

methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate (PubChem CID 2763379) has the molecular formula C12H10O6 and a molecular weight of 250.21 g/mol. Its IUPAC name is methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate
PubChem CID2763379
Molecular FormulaC12H10O6
Molecular Weight250.21 g/mol
Exact Mass250.05
IUPAC Namemethyl 3-methoxy-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=C2
InChIInChI=1S/C12H10O6/c1-16-9-8(10(14)17-2)12(18-11(9)15)5-3-7(13)4-6-12/h3-6H,1-2H3
InChIKeyYQBSITHZZJCGGU-UHFFFAOYSA-N
XLogP0.05
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The IUPAC name of methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate (CID 2763379) is methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate.
What is the SMILES notation for methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The canonical SMILES for methyl 3-methoxy-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=C2.
What is the InChIKey of methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
The InChIKey is YQBSITHZZJCGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6/c1-16-9-8(10(14)17-2)12(18-11(9)15)5-3-7(13)4-6-12/h3-6H,1-2H3.
What are the key properties of methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate?
methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate has a molecular weight of 250.21 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2,8-dioxo-1-oxaspiro[4.5]deca-3,6,9-triene-4-carboxylate is sourced from PubChem (CID 2763379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).