5-ethyl-2-methyl-4-oxofuran-3-olate

C7H9O3- — CID 25202827

IUPAC5-ethyl-2-methyl-4-oxofuran-3-olate
SMILESCCC1OC(C)=C([O-])C1=O
InChIInChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3/p-1
InChIKeyGWCRPYGYVRXVLI-UHFFFAOYSA-M
MW141.15 g/mol
LogP-0.04
Rot. Bonds1

About 5-ethyl-2-methyl-4-oxofuran-3-olate

5-ethyl-2-methyl-4-oxofuran-3-olate (PubChem CID 25202827) has the molecular formula C7H9O3- and a molecular weight of 141.15 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-oxofuran-3-olate.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-oxofuran-3-olate
PubChem CID25202827
Molecular FormulaC7H9O3-
Molecular Weight141.15 g/mol
Exact Mass141.06
IUPAC Name5-ethyl-2-methyl-4-oxofuran-3-olate
SMILESCCC1OC(C)=C([O-])C1=O
InChIInChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3/p-1
InChIKeyGWCRPYGYVRXVLI-UHFFFAOYSA-M
XLogP-0.04
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Furaneol
CID 19309
Homofuraneol
CID 33931
2,5-dimethyl-4-methoxy-3(2H)-furanone
CID 61325
2,5-Dimethyl-4-ethoxy-3(2H)-furanone
CID 3017596
4-Butyroxy-2,5-dimethyl-3(2H)-furanone
CID 19872333
5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone
CID 93111
(2R)-(+)-furaneol
CID 23618097
4-hydroxy-5-methyl-2-propyl-3(2H)-furanone
CID 12730529
Furaneol (keto form)
CID 25200937
(2r)-2-Ethyl-4-Hydroxy-5-Methylfuran-3(2h)-One
CID 51417250
2H-Furan-3-one, 2,4,5-trimethyl
CID 15801252
2,5-Dimethyl-4-butoxy-3(2H)furanone
CID 10797578

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-oxofuran-3-olate?
The IUPAC name of 5-ethyl-2-methyl-4-oxofuran-3-olate (CID 25202827) is 5-ethyl-2-methyl-4-oxofuran-3-olate.
What is the SMILES notation for 5-ethyl-2-methyl-4-oxofuran-3-olate?
The canonical SMILES for 5-ethyl-2-methyl-4-oxofuran-3-olate is CCC1OC(C)=C([O-])C1=O.
What is the InChIKey of 5-ethyl-2-methyl-4-oxofuran-3-olate?
The InChIKey is GWCRPYGYVRXVLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3/p-1.
What are the key properties of 5-ethyl-2-methyl-4-oxofuran-3-olate?
5-ethyl-2-methyl-4-oxofuran-3-olate has a molecular weight of 141.15 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-oxofuran-3-olate is sourced from PubChem (CID 25202827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).