methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate

C10H10O6 — CID 122391282

IUPACmethyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate
SMILESC=C1OC(=O)C(C(=O)CCC(=O)OC)=C1O
InChIInChI=1S/C10H10O6/c1-5-9(13)8(10(14)16-5)6(11)3-4-7(12)15-2/h13H,1,3-4H2,2H3
InChIKeyFFBWNTWBOGMXHG-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.39
Rot. Bonds4

About methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate

methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate (PubChem CID 122391282) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate
PubChem CID122391282
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Namemethyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate
SMILESC=C1OC(=O)C(C(=O)CCC(=O)OC)=C1O
InChIInChI=1S/C10H10O6/c1-5-9(13)8(10(14)16-5)6(11)3-4-7(12)15-2/h13H,1,3-4H2,2H3
InChIKeyFFBWNTWBOGMXHG-UHFFFAOYSA-N
XLogP0.39
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Hydroxy-6-methyl-3-(1-oxobutyl)-2H-pyran-2-one
CID 54684273
Agglomerin A
CID 54697845
3-Hexadecanoyl-4-hydroxy-5-methylidenefuran-2-one
CID 54703589
Agglomerin C
CID 54693226
3-[(Z)-dodec-5-enoyl]-4-hydroxy-5-methylidenefuran-2-one
CID 54717176
Agglomerin B
CID 76183681
1-[4-hydroxy-2-oxo-6-[(E)-prop-1-enyl]pyran-3-yl]butane-1,2-dione
CID 135871571
4-[(2R)-3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl]-4-oxobutanoic acid
CID 101289813
(2R)-3-hydroxy-4-(4-hydroxybutanoyl)-2-methyl-2H-furan-5-one
CID 134860889
3-Butanoyl-4-hydroxy-5-methylfuran-2(5H)-one
CID 54716520
Ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate
CID 89308257
3-Butyryl-6-ethyl-4-hydroxy-2-pyrone
CID 118228953

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate?
The IUPAC name of methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate (CID 122391282) is methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate?
The canonical SMILES for methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate is C=C1OC(=O)C(C(=O)CCC(=O)OC)=C1O.
What is the InChIKey of methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate?
The InChIKey is FFBWNTWBOGMXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-5-9(13)8(10(14)16-5)6(11)3-4-7(12)15-2/h13H,1,3-4H2,2H3.
What are the key properties of methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate?
methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate has a molecular weight of 226.18 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxy-5-methylidene-2-oxofuran-3-yl)-4-oxobutanoate is sourced from PubChem (CID 122391282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).