ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate

C12H20O3 — CID 22059352

IUPACethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate
SMILESCCOC(=O)CC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H20O3/c1-6-15-9(14)7-8(13)10-11(2,3)12(10,4)5/h10H,6-7H2,1-5H3
InChIKeyCJZGVSQYRANCHO-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.19
Rot. Bonds4

About ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate

ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate (PubChem CID 22059352) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate.

Molecular Properties

Compound Nameethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate
PubChem CID22059352
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Nameethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate
SMILESCCOC(=O)CC(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H20O3/c1-6-15-9(14)7-8(13)10-11(2,3)12(10,4)5/h10H,6-7H2,1-5H3
InChIKeyCJZGVSQYRANCHO-UHFFFAOYSA-N
XLogP2.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate?
The IUPAC name of ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate (CID 22059352) is ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate.
What is the SMILES notation for ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate?
The canonical SMILES for ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate is CCOC(=O)CC(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate?
The InChIKey is CJZGVSQYRANCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-6-15-9(14)7-8(13)10-11(2,3)12(10,4)5/h10H,6-7H2,1-5H3.
What are the key properties of ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate?
ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate has a molecular weight of 212.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanoate is sourced from PubChem (CID 22059352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).