methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate

C11H14O6 — CID 587981

IUPACmethyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)OC(=O)C(C)=C1C
InChIInChI=1S/C11H14O6/c1-6-7(2)11(10(14)16-4,17-9(6)13)5-8(12)15-3/h5H2,1-4H3
InChIKeyKKNRZRBIEBJKAT-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.35
Rot. Bonds3

About methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate

methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate (PubChem CID 587981) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate
PubChem CID587981
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namemethyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)OC(=O)C(C)=C1C
InChIInChI=1S/C11H14O6/c1-6-7(2)11(10(14)16-4,17-9(6)13)5-8(12)15-3/h5H2,1-4H3
InChIKeyKKNRZRBIEBJKAT-UHFFFAOYSA-N
XLogP0.35
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

Methyl 2,5,5-trimethyl-4-oxofuran-3-carboxylate
CID 101775659
Pfcfyvvmubkymt-uhfffaoysa-
CID 11074751
dimethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate
CID 15367223
diethyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate
CID 15367224
ditert-butyl 4,5,5-trimethyl-2H-furan-2,3-dicarboxylate
CID 15367225
Dimethyl 3-ethyl-5-oxofuran-2,2-dicarboxylate
CID 135031797
dimethyl (Z)-2-(2,5-dimethyl-3-oxofuran-2-yl)but-2-enedioate
CID 146018832
trimethyl (Z,3R)-3-(2-methylidenepentoxy)but-1-ene-1,2,3-tricarboxylate
CID 89135086
Trimethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-1,2,4-tricarboxylate
CID 176208321
2-O,2-O'-diethyl 3-O-methyl 4-(2-methoxy-2-oxoethyl)-5-oxofuran-2,2,3-tricarboxylate
CID 9946846
Diethyl 2-ethyl-3-methyl-5-oxofuran-2,4-dicarboxylate
CID 11651928
Diethyl 4-ethoxy-2-methyl-5-oxofuran-2,3-dicarboxylate
CID 52915830

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate?
The IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate (CID 587981) is methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate?
The canonical SMILES for methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate is COC(=O)CC1(C(=O)OC)OC(=O)C(C)=C1C.
What is the InChIKey of methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate?
The InChIKey is KKNRZRBIEBJKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-6-7(2)11(10(14)16-4,17-9(6)13)5-8(12)15-3/h5H2,1-4H3.
What are the key properties of methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate?
methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-2-oxoethyl)-3,4-dimethyl-5-oxofuran-2-carboxylate is sourced from PubChem (CID 587981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).