4-ethoxy-5-methylidenefuran-2-one

C7H8O3 — CID 135011368

IUPAC4-ethoxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C=C1OCC
InChIInChI=1S/C7H8O3/c1-3-9-6-4-7(8)10-5(6)2/h4H,2-3H2,1H3
InChIKeyREBLALFHGZJJKI-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.98
Rot. Bonds2

About 4-ethoxy-5-methylidenefuran-2-one

4-ethoxy-5-methylidenefuran-2-one (PubChem CID 135011368) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4-ethoxy-5-methylidenefuran-2-one.

Molecular Properties

Compound Name4-ethoxy-5-methylidenefuran-2-one
PubChem CID135011368
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name4-ethoxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C=C1OCC
InChIInChI=1S/C7H8O3/c1-3-9-6-4-7(8)10-5(6)2/h4H,2-3H2,1H3
InChIKeyREBLALFHGZJJKI-UHFFFAOYSA-N
XLogP0.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyltriacetolactone
CID 12651
4-Methoxy-2,5-dihydrofuran-2-one
CID 643477
4-Methoxy-5-[1-methoxy-meth-(z)-ylidene]-5h-furan-2-one
CID 5387000
Ethyl 3-methoxy-2-butenoate
CID 6382292
Methyl 3-ethoxy-2-butenoate
CID 15355279
Sudiupjztjljro-utcjrwhesa-
CID 10606975
ethyl (Z)-3-methoxybut-2-enoate
CID 6073491
4-ethoxy-2(5H)-furanone
CID 10866347
5-Oxo-2,5-dihydrofuran-3-yl acetate
CID 12565887
Furopyranone
CID 66988439
methyl (E)-3-ethoxybut-2-enoate
CID 6366046
CID 107399
CID 107399

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methylidenefuran-2-one?
The IUPAC name of 4-ethoxy-5-methylidenefuran-2-one (CID 135011368) is 4-ethoxy-5-methylidenefuran-2-one.
What is the SMILES notation for 4-ethoxy-5-methylidenefuran-2-one?
The canonical SMILES for 4-ethoxy-5-methylidenefuran-2-one is C=C1OC(=O)C=C1OCC.
What is the InChIKey of 4-ethoxy-5-methylidenefuran-2-one?
The InChIKey is REBLALFHGZJJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-3-9-6-4-7(8)10-5(6)2/h4H,2-3H2,1H3.
What are the key properties of 4-ethoxy-5-methylidenefuran-2-one?
4-ethoxy-5-methylidenefuran-2-one has a molecular weight of 140.14 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methylidenefuran-2-one is sourced from PubChem (CID 135011368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).