methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate

C11H14O5 — CID 14199209

IUPACmethyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate
SMILESCOC(=O)CC1CC(C(=O)OC)=C(C)C1=O
InChIInChI=1S/C11H14O5/c1-6-8(11(14)16-3)4-7(10(6)13)5-9(12)15-2/h7H,4-5H2,1-3H3
InChIKeyLXYZCEQIKFGKHA-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.63
Rot. Bonds3

About methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate

methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate (PubChem CID 14199209) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate
PubChem CID14199209
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate
SMILESCOC(=O)CC1CC(C(=O)OC)=C(C)C1=O
InChIInChI=1S/C11H14O5/c1-6-8(11(14)16-3)4-7(10(6)13)5-9(12)15-2/h7H,4-5H2,1-3H3
InChIKeyLXYZCEQIKFGKHA-UHFFFAOYSA-N
XLogP0.63
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-methyl-2-oxopyrrolidin-3-yl)acetate;hydrate
CID 174373555
methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854
methyl 4-(2-methoxy-2-oxoethyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 91747584
methyl (3R)-3-benzyl-6-methyl-2-oxo-3,4-dihydropyran-5-carboxylate
CID 135006357
methyl 2-[(1R,3S)-3-cyclohexyl-2-oxocyclopentyl]acetate
CID 101063177
methyl 2-[1-(hydroxymethyl)-2-oxopyrrolidin-3-yl]acetate;hydrochloride
CID 139800496
methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
CID 10877378
methyl 2-(5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)acetate
CID 89283732
methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate
CID 58200009
dimethyl 3-hexylcyclobutene-1,2-dicarboxylate
CID 11075996
dimethyl 5-methyl-2,3-dihydrofuran-2,4-dicarboxylate
CID 15310424
methyl 2-[(2R)-4-oxo-3,5,6,7-tetrahydro-2H-1-benzofuran-2-yl]acetate
CID 96581521

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate?
The IUPAC name of methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate (CID 14199209) is methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate.
What is the SMILES notation for methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate?
The canonical SMILES for methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate is COC(=O)CC1CC(C(=O)OC)=C(C)C1=O.
What is the InChIKey of methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate?
The InChIKey is LXYZCEQIKFGKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-6-8(11(14)16-3)4-7(10(6)13)5-9(12)15-2/h7H,4-5H2,1-3H3.
What are the key properties of methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate?
methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate is sourced from PubChem (CID 14199209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).