methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate

C11H14O4 — CID 15759449

IUPACmethyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate
SMILESCCC(CC(=O)c1ccco1)C(=O)OC
InChIInChI=1S/C11H14O4/c1-3-8(11(13)14-2)7-9(12)10-5-4-6-15-10/h4-6,8H,3,7H2,1-2H3
InChIKeyQAAYXVJDQIMTSC-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.05
Rot. Bonds5

About methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate

methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate (PubChem CID 15759449) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate
PubChem CID15759449
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate
SMILESCCC(CC(=O)c1ccco1)C(=O)OC
InChIInChI=1S/C11H14O4/c1-3-8(11(13)14-2)7-9(12)10-5-4-6-15-10/h4-6,8H,3,7H2,1-2H3
InChIKeyQAAYXVJDQIMTSC-UHFFFAOYSA-N
XLogP2.05
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(furan-2-yl)butan-1-one
CID 14709528
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
sodium;ethyl 3-(furan-2-yl)-3-oxopropanoate;hydride
CID 175451832
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
1-(furan-2-yl)-4-methoxy-4-methylpentane-1,3-dione
CID 165483416
methyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148182
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
1-(furan-2-yl)-2-(propylamino)ethanone
CID 14188381
aminomethyl 4-(furan-2-yl)-2,4-dioxobutanoate;ethane
CID 144767506

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate?
The IUPAC name of methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate (CID 15759449) is methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate.
What is the SMILES notation for methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate?
The canonical SMILES for methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate is CCC(CC(=O)c1ccco1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate?
The InChIKey is QAAYXVJDQIMTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-8(11(13)14-2)7-9(12)10-5-4-6-15-10/h4-6,8H,3,7H2,1-2H3.
What are the key properties of methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate?
methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate has a molecular weight of 210.23 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(furan-2-yl)-4-oxobutanoate is sourced from PubChem (CID 15759449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).