(2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde

C7H6O4 — CID 14943212

IUPAC(2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde
SMILESCOC1=CC(=O)O/C1=C\C=O
InChIInChI=1S/C7H6O4/c1-10-6-4-7(9)11-5(6)2-3-8/h2-4H,1H3/b5-2-
InChIKeyAUILMPOUYVGYKQ-DJWKRKHSSA-N
MW154.12 g/mol
LogP0.16
Rot. Bonds2

About (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde

(2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde (PubChem CID 14943212) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde
PubChem CID14943212
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name(2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde
SMILESCOC1=CC(=O)O/C1=C\C=O
InChIInChI=1S/C7H6O4/c1-10-6-4-7(9)11-5(6)2-3-8/h2-4H,1H3/b5-2-
InChIKeyAUILMPOUYVGYKQ-DJWKRKHSSA-N
XLogP0.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-2,5-dihydrofuran-2-one
CID 643477
4-Methoxy-5-[1-methoxy-meth-(z)-ylidene]-5h-furan-2-one
CID 5387000
Sudiupjztjljro-utcjrwhesa-
CID 10606975
5-Oxo-2,5-dihydrofuran-3-yl acetate
CID 12565887
(3,4-Dimethoxy-5-oxo-5h-furan-2-ylidene)acetaldehyde
CID 2747727
3-Methoxy-4-methylenebutenolide
CID 11147716
4-Ethoxy-5-methylidenefuran-2-one
CID 135011368
ethyl (2E)-2-(3-ethoxy-4-methyl-5-oxofuran-2-ylidene)acetate
CID 10846851
methyl (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetate
CID 11622455
2(5H)-Furanone, 4-methoxy-5-(methoxymethylene)-, (Z)-
CID 359065
4-(2-Methoxyethoxy)-6-methylpyran-2-one
CID 17888444
(2E)-2-(3-methoxy-4-methyl-5-oxofuran-2-ylidene)propanal
CID 144740933

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde?
The IUPAC name of (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde (CID 14943212) is (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde.
What is the SMILES notation for (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde?
The canonical SMILES for (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde is COC1=CC(=O)O/C1=C\C=O.
What is the InChIKey of (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde?
The InChIKey is AUILMPOUYVGYKQ-DJWKRKHSSA-N. The full InChI is InChI=1S/C7H6O4/c1-10-6-4-7(9)11-5(6)2-3-8/h2-4H,1H3/b5-2-.
What are the key properties of (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde?
(2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde has a molecular weight of 154.12 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-methoxy-5-oxofuran-2-ylidene)acetaldehyde is sourced from PubChem (CID 14943212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).