ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate

C10H14O4 — CID 57435071

IUPACethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)C1C(=O)CCC1C
InChIInChI=1S/C10H14O4/c1-3-14-10(13)9(12)8-6(2)4-5-7(8)11/h6,8H,3-5H2,1-2H3
InChIKeyMAFVZWYBTHVSDU-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.73
Rot. Bonds3

About ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate

ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate (PubChem CID 57435071) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate
PubChem CID57435071
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)C1C(=O)CCC1C
InChIInChI=1S/C10H14O4/c1-3-14-10(13)9(12)8-6(2)4-5-7(8)11/h6,8H,3-5H2,1-2H3
InChIKeyMAFVZWYBTHVSDU-UHFFFAOYSA-N
XLogP0.73
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

cis-ethyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 15253094
cis-methyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11040926
ethyl 3-oxobicyclo[4.1.0]heptane-2-carboxylate
CID 118105566
ethyl 2-cyclopropyl-2-oxoacetate
CID 18370816
ethyl 2-(2,3-dioxocyclohexyl)-2-oxoacetate
CID 104539610
diethyl 2-oxobicyclo[3.1.0]hexane-6,6-dicarboxylate
CID 14321571
ethyl 2-(3-methylidene-2-oxocycloheptyl)-2-oxoacetate
CID 89160047
ethyl (7S)-3,7-dimethyl-2-oxocycloheptane-1-carboxylate
CID 11789100
ethyl 2-(5-methyl-4-oxooxan-3-yl)-2-oxoacetate
CID 59238369
ethyl 2-[(1S,3S)-3-methyl-2,4,5-trioxocyclopentyl]-2-oxoacetate
CID 98053578
ethyl 2-(4-methylcyclohexylidene)propanoate
CID 11041686
tert-butyl 4-(2-ethoxy-2-oxoacetyl)-3-oxopiperidine-1-carboxylate
CID 138110908

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate (CID 57435071) is ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate is CCOC(=O)C(=O)C1C(=O)CCC1C.
What is the InChIKey of ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate?
The InChIKey is MAFVZWYBTHVSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-14-10(13)9(12)8-6(2)4-5-7(8)11/h6,8H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate?
ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate has a molecular weight of 198.22 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyl-5-oxocyclopentyl)-2-oxoacetate is sourced from PubChem (CID 57435071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).