(Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate

C11H11O6- — CID 134851987

IUPAC(Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate
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/p-1/b10-8-
InChIKeyNHJYSKSQXUMJMR-NTMALXAHSA-M
MW239.20 g/mol
LogP-0.08
Rot. Bonds2

About (Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate

(Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate (PubChem CID 134851987) has the molecular formula C11H11O6- and a molecular weight of 239.20 g/mol. Its IUPAC name is (Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate.

Molecular Properties

Compound Name(Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate
PubChem CID134851987
Molecular FormulaC11H11O6-
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name(Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate
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/p-1/b10-8-
InChIKeyNHJYSKSQXUMJMR-NTMALXAHSA-M
XLogP-0.08
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ethyl indeno[1,2-b]furan-3-carboxylate
CID 167530443
2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, ethyl ester
CID 540037
Methyl 2-oxocyclopenta[b]furan-3-carboxylate
CID 20295760
3-(Methoxymethyl)cyclopenta[b]furan-2-one
CID 20295973
methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate
CID 140967907
methyl (4Z,7Z,9E)-6-methyl-2-oxo-6H-cycloocta[b]furan-3-carboxylate
CID 141934745
3-[(E)-1,3-dimethoxyprop-1-enyl]-4-ethenyl-6-(1-oxoprop-1-en-2-yl)pyran-2-one
CID 142159631
(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
ethyl (E)-2-(2-methyl-1,3-dioxol-4-yl)but-2-enoate
CID 176893262
ethyl (5E)-5-ethylidene-4-methyl-2-oxofuran-3-carboxylate
CID 24974269
(2-Oxocyclohepta[b]furan-3-yl)methyl acetate
CID 132822018

Frequently Asked Questions

What is the IUPAC name of (Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate?
The IUPAC name of (Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate (CID 134851987) is (Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate.
What is the SMILES notation for (Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate?
The canonical SMILES for (Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate is COC(=O)C1=C2C=COC2(C)O/C1=C(/[O-])OC.
What is the InChIKey of (Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate?
The InChIKey is NHJYSKSQXUMJMR-NTMALXAHSA-M. 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/p-1/b10-8-.
What are the key properties of (Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate?
(Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate has a molecular weight of 239.20 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate is sourced from PubChem (CID 134851987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).