ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate

C9H12O5 — CID 70918236

IUPACethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(OC)C(=O)OC1C
InChIInChI=1S/C9H12O5/c1-4-13-8(10)6-5(2)14-9(11)7(6)12-3/h5H,4H2,1-3H3
InChIKeyOADFVGSNPKQQMJ-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.40
Rot. Bonds3

About ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate

ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate (PubChem CID 70918236) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate
PubChem CID70918236
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Nameethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate
SMILESCCOC(=O)C1=C(OC)C(=O)OC1C
InChIInChI=1S/C9H12O5/c1-4-13-8(10)6-5(2)14-9(11)7(6)12-3/h5H,4H2,1-3H3
InChIKeyOADFVGSNPKQQMJ-UHFFFAOYSA-N
XLogP0.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
The IUPAC name of ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate (CID 70918236) is ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
The canonical SMILES for ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate is CCOC(=O)C1=C(OC)C(=O)OC1C.
What is the InChIKey of ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
The InChIKey is OADFVGSNPKQQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-4-13-8(10)6-5(2)14-9(11)7(6)12-3/h5H,4H2,1-3H3.
What are the key properties of ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate?
ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate has a molecular weight of 200.19 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-2-methyl-5-oxo-2H-furan-3-carboxylate is sourced from PubChem (CID 70918236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).