ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate

C12H18O4 — CID 14263588

IUPACethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate
SMILESCCOC(=O)CC1CCC=C1C(=O)OCC
InChIInChI=1S/C12H18O4/c1-3-15-11(13)8-9-6-5-7-10(9)12(14)16-4-2/h7,9H,3-6,8H2,1-2H3
InChIKeyYMKYLUHCEFZOEG-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.84
Rot. Bonds5

About ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate

ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate (PubChem CID 14263588) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate
PubChem CID14263588
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Nameethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate
SMILESCCOC(=O)CC1CCC=C1C(=O)OCC
InChIInChI=1S/C12H18O4/c1-3-15-11(13)8-9-6-5-7-10(9)12(14)16-4-2/h7,9H,3-6,8H2,1-2H3
InChIKeyYMKYLUHCEFZOEG-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate?
The IUPAC name of ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate (CID 14263588) is ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate is CCOC(=O)CC1CCC=C1C(=O)OCC.
What is the InChIKey of ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate?
The InChIKey is YMKYLUHCEFZOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-3-15-11(13)8-9-6-5-7-10(9)12(14)16-4-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate?
ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate has a molecular weight of 226.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-ethoxy-2-oxoethyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 14263588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).