ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate

C11H16O4 — CID 101224908

IUPACethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(CC(C)=O)C1
InChIInChI=1S/C11H16O4/c1-4-14-11(13)10-6-9(5-7(2)12)15-8(10)3/h9H,4-6H2,1-3H3
InChIKeyOVOZSJJWDVFHFG-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.59
Rot. Bonds4

About ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate

ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate (PubChem CID 101224908) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate
PubChem CID101224908
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate
SMILESCCOC(=O)C1=C(C)OC(CC(C)=O)C1
InChIInChI=1S/C11H16O4/c1-4-14-11(13)10-6-9(5-7(2)12)15-8(10)3/h9H,4-6H2,1-3H3
InChIKeyOVOZSJJWDVFHFG-UHFFFAOYSA-N
XLogP1.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86111
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
(2S,8R)-2-ethyl-8-methyl-2,3,4,8-tetrahydrofuro[3,4-b]oxepine-5,6-dione
CID 162984061
Ethyl 2-methyl-5-oxo-cyclopentene-1-carboxylate
CID 12454216
Methyl 4-methyl-5-oxo-2-pentyl-2,5-dihydrofuran-3-carboxylate
CID 12189233
Propan-2-yl 2-methyl-5-oxocyclopentene-1-carboxylate
CID 134857669
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CID 15275619
Methyl 2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylate
CID 91444841
methyl (S)-8-(4,6-dimethyl-2-oxo-5,6-dihydro-2H-pyran-3-yl)-8-Oxooctanoate
CID 118593683
2-Methyl-3-carboethoxy-1,6-dioxaspiro[4,4]non-2-ene
CID 13101433
Ethyl 2-butyl-5-oxocyclopentene-1-carboxylate
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Ethyl 2-hexyl-5-oxocyclopentene-1-carboxylate
CID 86063675

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate (CID 101224908) is ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate is CCOC(=O)C1=C(C)OC(CC(C)=O)C1.
What is the InChIKey of ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate?
The InChIKey is OVOZSJJWDVFHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-14-11(13)10-6-9(5-7(2)12)15-8(10)3/h9H,4-6H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate?
ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(2-oxopropyl)-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 101224908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).