4-ethoxy-3-methyl-5-methylidenefuran-2-one

C8H10O3 — CID 10606974

IUPAC4-ethoxy-3-methyl-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(C)=C1OCC
InChIInChI=1S/C8H10O3/c1-4-10-7-5(2)8(9)11-6(7)3/h3-4H2,1-2H3
InChIKeyZUUCWUWQKBIPCN-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.37
Rot. Bonds2

About 4-ethoxy-3-methyl-5-methylidenefuran-2-one

4-ethoxy-3-methyl-5-methylidenefuran-2-one (PubChem CID 10606974) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-ethoxy-3-methyl-5-methylidenefuran-2-one.

Molecular Properties

Compound Name4-ethoxy-3-methyl-5-methylidenefuran-2-one
PubChem CID10606974
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name4-ethoxy-3-methyl-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(C)=C1OCC
InChIInChI=1S/C8H10O3/c1-4-10-7-5(2)8(9)11-6(7)3/h3-4H2,1-2H3
InChIKeyZUUCWUWQKBIPCN-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-5-[1-methoxy-meth-(z)-ylidene]-5h-furan-2-one
CID 5387000
Sudiupjztjljro-utcjrwhesa-
CID 10606975
ethyl (2E)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
CID 11480829
methyl (2E)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
CID 12242172
4-Methoxy-3,6-dimethylpyran-2-one
CID 15946810
methyl (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
CID 170027952
(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one
CID 12026270
(5Z)-4-ethoxy-3-methyl-5-(triethylsilylmethylidene)furan-2-one
CID 102166720
(5Z)-4-ethoxy-5-(iodomethylidene)-3-methylfuran-2-one
CID 102166722
4-Ethoxy-5-methylidenefuran-2-one
CID 135011368
3,4-Diethoxy-5-methylidenefuran-2-one
CID 10330020
methyl (2Z)-2-(4-ethenyl-3-methoxy-5-oxofuran-2-ylidene)acetate
CID 10512621

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methyl-5-methylidenefuran-2-one?
The IUPAC name of 4-ethoxy-3-methyl-5-methylidenefuran-2-one (CID 10606974) is 4-ethoxy-3-methyl-5-methylidenefuran-2-one.
What is the SMILES notation for 4-ethoxy-3-methyl-5-methylidenefuran-2-one?
The canonical SMILES for 4-ethoxy-3-methyl-5-methylidenefuran-2-one is C=C1OC(=O)C(C)=C1OCC.
What is the InChIKey of 4-ethoxy-3-methyl-5-methylidenefuran-2-one?
The InChIKey is ZUUCWUWQKBIPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-10-7-5(2)8(9)11-6(7)3/h3-4H2,1-2H3.
What are the key properties of 4-ethoxy-3-methyl-5-methylidenefuran-2-one?
4-ethoxy-3-methyl-5-methylidenefuran-2-one has a molecular weight of 154.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methyl-5-methylidenefuran-2-one is sourced from PubChem (CID 10606974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).