3,4-diethoxy-5-methylidenefuran-2-one

C9H12O4 — CID 10330020

IUPAC3,4-diethoxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(OCC)=C1OCC
InChIInChI=1S/C9H12O4/c1-4-11-7-6(3)13-9(10)8(7)12-5-2/h3-5H2,1-2H3
InChIKeyNLECRADAAIGMLV-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.34
Rot. Bonds4

About 3,4-diethoxy-5-methylidenefuran-2-one

3,4-diethoxy-5-methylidenefuran-2-one (PubChem CID 10330020) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3,4-diethoxy-5-methylidenefuran-2-one.

Molecular Properties

Compound Name3,4-diethoxy-5-methylidenefuran-2-one
PubChem CID10330020
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name3,4-diethoxy-5-methylidenefuran-2-one
SMILESC=C1OC(=O)C(OCC)=C1OCC
InChIInChI=1S/C9H12O4/c1-4-11-7-6(3)13-9(10)8(7)12-5-2/h3-5H2,1-2H3
InChIKeyNLECRADAAIGMLV-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-5-[1-methoxy-meth-(z)-ylidene]-5h-furan-2-one
CID 5387000
3-methoxy-2(5H)-furanone
CID 13597600
Maleic anhydride, dihydroxy-, diacetate
CID 8597
Maleic anhydride, dihydroxy-, dipropionate
CID 22096
Fumaric acid, dihydroxy-, dimethyl ester, diacetate
CID 3032293
2,5-Furandione, 3-methoxy-
CID 11094630
diethyl (E)-2-ethoxybut-2-enedioate
CID 6376033
methyl (2Z)-2-(4-hydroxy-3-methoxy-5-oxofuran-2-ylidene)acetate
CID 101032163
Sudiupjztjljro-utcjrwhesa-
CID 10606975
[(E)-1-(2,3-dihydro-1,4-dioxin-5-yl)-2-methoxyprop-1-enyl] 2-methoxypropanoate
CID 21602629
ethyl (2E)-2-(4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 54707019
diethyl (Z)-2-ethoxybut-2-enedioate
CID 5937960

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-5-methylidenefuran-2-one?
The IUPAC name of 3,4-diethoxy-5-methylidenefuran-2-one (CID 10330020) is 3,4-diethoxy-5-methylidenefuran-2-one.
What is the SMILES notation for 3,4-diethoxy-5-methylidenefuran-2-one?
The canonical SMILES for 3,4-diethoxy-5-methylidenefuran-2-one is C=C1OC(=O)C(OCC)=C1OCC.
What is the InChIKey of 3,4-diethoxy-5-methylidenefuran-2-one?
The InChIKey is NLECRADAAIGMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-4-11-7-6(3)13-9(10)8(7)12-5-2/h3-5H2,1-2H3.
What are the key properties of 3,4-diethoxy-5-methylidenefuran-2-one?
3,4-diethoxy-5-methylidenefuran-2-one has a molecular weight of 184.19 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-5-methylidenefuran-2-one is sourced from PubChem (CID 10330020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).