methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate

C8H8O6 — CID 101032163

IUPACmethyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate
SMILESCOC(=O)/C=C1\OC(=O)C(O)=C1OC
InChIInChI=1S/C8H8O6/c1-12-5(9)3-4-7(13-2)6(10)8(11)14-4/h3,10H,1-2H3/b4-3-
InChIKeyVUTXHWGYOACBOJ-ARJAWSKDSA-N
MW200.15 g/mol
LogP0.02
Rot. Bonds2

About methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate

methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate (PubChem CID 101032163) has the molecular formula C8H8O6 and a molecular weight of 200.15 g/mol. Its IUPAC name is methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate
PubChem CID101032163
Molecular FormulaC8H8O6
Molecular Weight200.15 g/mol
Exact Mass200.03
IUPAC Namemethyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate
SMILESCOC(=O)/C=C1\OC(=O)C(O)=C1OC
InChIInChI=1S/C8H8O6/c1-12-5(9)3-4-7(13-2)6(10)8(11)14-4/h3,10H,1-2H3/b4-3-
InChIKeyVUTXHWGYOACBOJ-ARJAWSKDSA-N
XLogP0.02
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate (CID 101032163) is methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate is COC(=O)/C=C1\OC(=O)C(O)=C1OC.
What is the InChIKey of methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate?
The InChIKey is VUTXHWGYOACBOJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H8O6/c1-12-5(9)3-4-7(13-2)6(10)8(11)14-4/h3,10H,1-2H3/b4-3-.
What are the key properties of methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate?
methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate has a molecular weight of 200.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate is sourced from PubChem (CID 101032163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).