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

C8H8O5 — CID 11622455

IUPACmethyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate
SMILESCOC(=O)/C=C1\OC(=O)C=C1OC
InChIInChI=1S/C8H8O5/c1-11-5-3-8(10)13-6(5)4-7(9)12-2/h3-4H,1-2H3/b6-4-
InChIKeyHOQBJDKYMWPOCF-XQRVVYSFSA-N
MW184.15 g/mol
LogP0.13
Rot. Bonds2

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

methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate (PubChem CID 11622455) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate
PubChem CID11622455
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Namemethyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate
SMILESCOC(=O)/C=C1\OC(=O)C=C1OC
InChIInChI=1S/C8H8O5/c1-11-5-3-8(10)13-6(5)4-7(9)12-2/h3-4H,1-2H3/b6-4-
InChIKeyHOQBJDKYMWPOCF-XQRVVYSFSA-N
XLogP0.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-5-[1-methoxy-meth-(z)-ylidene]-5h-furan-2-one
CID 5387000
methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate
CID 101032163
Sudiupjztjljro-utcjrwhesa-
CID 10606975
methyl (2E)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
CID 12242172
4-ethoxy-2(5H)-furanone
CID 10866347
6-Methyl-2-oxo-2H-pyran-4-yl acetate
CID 12416524
5-Oxo-2,5-dihydrofuran-3-yl acetate
CID 12565887
4-Propoxyfuran-2(5H)-one
CID 13987376
methyl (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
CID 170027952
(3,4-Dimethoxy-5-oxo-5h-furan-2-ylidene)acetaldehyde
CID 2747727
3-Methoxy-4-methylenebutenolide
CID 11147716
Methyl 4-methoxy-6-oxopyran-2-carboxylate
CID 13810474

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate?
The IUPAC name of methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate (CID 11622455) is methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate.
What is the SMILES notation for methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate?
The canonical SMILES for methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate is COC(=O)/C=C1\OC(=O)C=C1OC.
What is the InChIKey of methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate?
The InChIKey is HOQBJDKYMWPOCF-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H8O5/c1-11-5-3-8(10)13-6(5)4-7(9)12-2/h3-4H,1-2H3/b6-4-.
What are the key properties of methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate?
methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate has a molecular weight of 184.15 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate is sourced from PubChem (CID 11622455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).