cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate

C11H16O4 — CID 134967196

IUPACcis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@]1(CC=O)C(=O)CC[C@H]1C
InChIInChI=1S/C11H16O4/c1-3-15-10(14)11(6-7-12)8(2)4-5-9(11)13/h7-8H,3-6H2,1-2H3/t8-,11-/m1/s1
InChIKeyKPIJJTZOUGZMGT-LDYMZIIASA-N
MW212.24 g/mol
LogP1.12
Rot. Bonds4

About cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate

cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate (PubChem CID 134967196) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate
PubChem CID134967196
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namecis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@]1(CC=O)C(=O)CC[C@H]1C
InChIInChI=1S/C11H16O4/c1-3-15-10(14)11(6-7-12)8(2)4-5-9(11)13/h7-8H,3-6H2,1-2H3/t8-,11-/m1/s1
InChIKeyKPIJJTZOUGZMGT-LDYMZIIASA-N
XLogP1.12
TPSA60.44 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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate (CID 134967196) is cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate is CCOC(=O)[C@@]1(CC=O)C(=O)CC[C@H]1C.
What is the InChIKey of cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate?
The InChIKey is KPIJJTZOUGZMGT-LDYMZIIASA-N. The full InChI is InChI=1S/C11H16O4/c1-3-15-10(14)11(6-7-12)8(2)4-5-9(11)13/h7-8H,3-6H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate?
cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-2-methyl-5-oxo-1-(2-oxoethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 134967196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).