ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate

C8H8O5 — CID 54689438

IUPACethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/C=C(O)C(=O)O1
InChIInChI=1S/C8H8O5/c1-2-12-7(10)4-5-3-6(9)8(11)13-5/h3-4,9H,2H2,1H3/b5-4-
InChIKeyPJRZTHAEJDPKDR-PLNGDYQASA-N
MW184.15 g/mol
LogP0.43
Rot. Bonds2

About ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate

ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate (PubChem CID 54689438) has the molecular formula C8H8O5 and a molecular weight of 184.15 g/mol. Its IUPAC name is ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
PubChem CID54689438
Molecular FormulaC8H8O5
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Nameethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/C=C(O)C(=O)O1
InChIInChI=1S/C8H8O5/c1-2-12-7(10)4-5-3-6(9)8(11)13-5/h3-4,9H,2H2,1H3/b5-4-
InChIKeyPJRZTHAEJDPKDR-PLNGDYQASA-N
XLogP0.43
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2Z)-2-(3-methyl-5-oxofuran-2-ylidene)acetate
CID 13056247
ethyl (2Z)-2-(6-methyl-3-oxo-2-benzofuran-1-ylidene)acetate
CID 125464108
ethyl 2-(3-methyloxiran-2-ylidene)acetate
CID 141372783
ethyl (2Z)-2-(3-oxoisoindol-1-ylidene)acetate
CID 139094769
ethyl (Z,4Z)-4-(3,4-dimethyl-5-oxofuran-2-ylidene)-3-hydroxybut-2-enoate
CID 102177847
ethyl 2-thiopyran-4-ylideneacetate
CID 141025564
ethyl 2-phenyliminoacetate
CID 7095267
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (2Z)-2-(4-bromo-3-phenylisochromen-1-ylidene)acetate
CID 177388598

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate (CID 54689438) is ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate is CCOC(=O)/C=C1/C=C(O)C(=O)O1.
What is the InChIKey of ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate?
The InChIKey is PJRZTHAEJDPKDR-PLNGDYQASA-N. The full InChI is InChI=1S/C8H8O5/c1-2-12-7(10)4-5-3-6(9)8(11)13-5/h3-4,9H,2H2,1H3/b5-4-.
What are the key properties of ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate?
ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate has a molecular weight of 184.15 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate is sourced from PubChem (CID 54689438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).