ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate

C11H16O4 — CID 11275876

IUPACethyl 3-oxo-4-(2-oxocyclopentyl)butanoate
SMILESCCOC(=O)CC(=O)CC1CCCC1=O
InChIInChI=1S/C11H16O4/c1-2-15-11(14)7-9(12)6-8-4-3-5-10(8)13/h8H,2-7H2,1H3
InChIKeyFBBXDVZDXGOZRI-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.27
Rot. Bonds5

About ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate

ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate (PubChem CID 11275876) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate.

Molecular Properties

Compound Nameethyl 3-oxo-4-(2-oxocyclopentyl)butanoate
PubChem CID11275876
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 3-oxo-4-(2-oxocyclopentyl)butanoate
SMILESCCOC(=O)CC(=O)CC1CCCC1=O
InChIInChI=1S/C11H16O4/c1-2-15-11(14)7-9(12)6-8-4-3-5-10(8)13/h8H,2-7H2,1H3
InChIKeyFBBXDVZDXGOZRI-UHFFFAOYSA-N
XLogP1.27
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(1S)-2-oxocyclopentyl]acetate
CID 1268264
ethyl 4-[(2-oxocyclohexyl)methyl]pent-4-enoate
CID 15880917
ethyl 2-[(2-oxocycloheptyl)methyl]prop-2-enoate
CID 14784019
ethyl 4-(2,6-dichlorocyclohexyl)-3-oxobutanoate
CID 58683853
2-(2-oxoheptyl)cyclohexan-1-one
CID 68655143
2-(2-methylidenebutyl)cyclopentan-1-one
CID 66046925
ethyl 4-(4,4-dimethylcyclohexyl)-3-oxobutanoate
CID 90220571
ethyl 4-(3-methyl-4-oxopiperidin-1-yl)-3-oxobutanoate
CID 114501322
2-methylpropyl 2-[(1S)-2-oxocyclohexyl]acetate
CID 134175982
ethyl 2-[(1R,3aS,7aR)-3a-methyl-7-oxo-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]acetate
CID 11128353
ethyl 2-methyl-3-(2-oxocyclohexyl)propanoate;methane;methyl 2-methyl-3-(2-oxocyclohexyl)propanoate
CID 160583363
ethyl 2-[3-(dimethylaminomethylidene)-2-oxocyclohexyl]acetate
CID 77225072

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate?
The IUPAC name of ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate (CID 11275876) is ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate.
What is the SMILES notation for ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate?
The canonical SMILES for ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate is CCOC(=O)CC(=O)CC1CCCC1=O.
What is the InChIKey of ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate?
The InChIKey is FBBXDVZDXGOZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-2-15-11(14)7-9(12)6-8-4-3-5-10(8)13/h8H,2-7H2,1H3.
What are the key properties of ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate?
ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate has a molecular weight of 212.24 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-4-(2-oxocyclopentyl)butanoate is sourced from PubChem (CID 11275876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).