ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate

C10H12O5 — CID 54697242

IUPACethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
SMILESCCOC(=O)/C=C1\OC(=O)C(O)=C1CC
InChIInChI=1S/C10H12O5/c1-3-6-7(5-8(11)14-4-2)15-10(13)9(6)12/h5,12H,3-4H2,1-2H3/b7-5-
InChIKeyTVRZJTHZZYUXGK-ALCCZGGFSA-N
MW212.20 g/mol
LogP1.21
Rot. Bonds3

About ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate

ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate (PubChem CID 54697242) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
PubChem CID54697242
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Nameethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
SMILESCCOC(=O)/C=C1\OC(=O)C(O)=C1CC
InChIInChI=1S/C10H12O5/c1-3-6-7(5-8(11)14-4-2)15-10(13)9(6)12/h5,12H,3-4H2,1-2H3/b7-5-
InChIKeyTVRZJTHZZYUXGK-ALCCZGGFSA-N
XLogP1.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.21
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

Annularin A
CID 637272
Pyrenocine R
CID 134143541
4-ethyl-2H-pyran-2-one-6-carboxylic acid
CID 14516694
4-Ethyl-3-hydroxy-6-prop-1-enylpyran-2-one
CID 137554733
4-Ethyl-3-hydroxy-6-propenyl-2h-pyran-2-one
CID 145720694
(S)-3-hydroxy-5-methyl-6-(2-hydroxypropyl)-2H-pyran-2-one
CID 168059137
5-ethylidene-3-hydroxy-4-methylfuran-2(5H)-one
CID 6432881
(5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one
CID 11183026
ethyl (2Z)-2-[(3Z)-9-oxo-5,6-dihydro-2H-furo[3,4-b]oxocin-7-ylidene]acetate
CID 21609370
ethyl (2Z)-2-(4-hydroxy-5-oxo-3-prop-2-enylfuran-2-ylidene)acetate
CID 54695781
methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate
CID 101066219
methyl (2E)-2-(4-hydroxy-5-oxofuran-2-ylidene)-3-oxobutanoate
CID 101066226

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate (CID 54697242) is ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate is CCOC(=O)/C=C1\OC(=O)C(O)=C1CC.
What is the InChIKey of ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate?
The InChIKey is TVRZJTHZZYUXGK-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-6-7(5-8(11)14-4-2)15-10(13)9(6)12/h5,12H,3-4H2,1-2H3/b7-5-.
What are the key properties of ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate?
ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate has a molecular weight of 212.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate is sourced from PubChem (CID 54697242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).