methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate

C11H12O6 — CID 134851988

IUPACmethyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate
SMILESCOC(=O)C1=C2C=COC2(C)O/C1=C(/O)OC
InChIInChI=1S/C11H12O6/c1-11-6(4-5-16-11)7(9(12)14-2)8(17-11)10(13)15-3/h4-5,13H,1-3H3/b10-8-
InChIKeyNHJYSKSQXUMJMR-NTMALXAHSA-N
MW240.21 g/mol
LogP1.12
Rot. Bonds2

About methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate

methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate (PubChem CID 134851988) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate.

Molecular Properties

Compound Namemethyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate
PubChem CID134851988
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Namemethyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate
SMILESCOC(=O)C1=C2C=COC2(C)O/C1=C(/O)OC
InChIInChI=1S/C11H12O6/c1-11-6(4-5-16-11)7(9(12)14-2)8(17-11)10(13)15-3/h4-5,13H,1-3H3/b10-8-
InChIKeyNHJYSKSQXUMJMR-NTMALXAHSA-N
XLogP1.12
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate 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

Dimethyl 2-(5-(2-hydroxyethyl)-5-methoxyfuran-2(5h)-ylidene)malonate
CID 129708472
(Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate
CID 134851987
Methyl 2-hydroxy-4-methoxycarbonyloxy-6-oxopyran-3-carboxylate
CID 135745737
Ethyl indeno[1,2-b]furan-3-carboxylate
CID 167530443
3-(Methoxymethyl)cyclopenta[b]furan-2-one
CID 20295973
2,4-Dimethylcyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 141007280
2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylic acid
CID 141007357
(3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione
CID 163888047
Ethyl 2-(2-oxo-1,3-dioxol-4-yl)but-2-enoate
CID 164898708

Frequently Asked Questions

What is the IUPAC name of methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate?
The IUPAC name of methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate (CID 134851988) is methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate.
What is the SMILES notation for methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate?
The canonical SMILES for methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate is COC(=O)C1=C2C=COC2(C)O/C1=C(/O)OC.
What is the InChIKey of methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate?
The InChIKey is NHJYSKSQXUMJMR-NTMALXAHSA-N. The full InChI is InChI=1S/C11H12O6/c1-11-6(4-5-16-11)7(9(12)14-2)8(17-11)10(13)15-3/h4-5,13H,1-3H3/b10-8-.
What are the key properties of methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate?
methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate has a molecular weight of 240.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z)-5-[hydroxy(methoxy)methylidene]-6a-methylfuro[2,3-b]furan-4-carboxylate is sourced from PubChem (CID 134851988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).