ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate

C13H18O4 — CID 177463101

IUPACethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
SMILESCCOC(=O)/C=C1/CCC/C1=C\C(=O)OCC
InChIInChI=1S/C13H18O4/c1-3-16-12(14)8-10-6-5-7-11(10)9-13(15)17-4-2/h8-9H,3-7H2,1-2H3/b10-8-,11-9+
InChIKeyUEBINCFKZPGEOX-PNQPDEHRSA-N
MW238.28 g/mol
LogP2.15
Rot. Bonds4

About ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate

ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate (PubChem CID 177463101) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
PubChem CID177463101
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Nameethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
SMILESCCOC(=O)/C=C1/CCC/C1=C\C(=O)OCC
InChIInChI=1S/C13H18O4/c1-3-16-12(14)8-10-6-5-7-11(10)9-13(15)17-4-2/h8-9H,3-7H2,1-2H3/b10-8-,11-9+
InChIKeyUEBINCFKZPGEOX-PNQPDEHRSA-N
XLogP2.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[(2E)-2-[(4-methoxyphenyl)methylidene]cyclopentylidene]acetate
CID 10802142
ethyl (2Z)-2-(1-methyl-6,7-dihydro-5H-indol-4-ylidene)acetate
CID 69074858
ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate
CID 83854803
2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane
CID 159790396
ethyl (2Z)-2-(thiolan-2-ylidene)acetate
CID 14960020
ethyl (2E)-2-[8-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-ylidene]acetate
CID 11076950
ethyl (2Z)-2-(2-tert-butylcyclopentylidene)acetate
CID 165488646
2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid
CID 137371720
ethyl (2Z)-2-(2,3-dihydroinden-1-ylidene)acetate
CID 23288817
ethyl (2E)-2-[(2Z)-2-[2-aminoethyl(methyl)hydrazinylidene]cyclooctylidene]acetate
CID 142262283

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate (CID 177463101) is ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate is CCOC(=O)/C=C1/CCC/C1=C\C(=O)OCC.
What is the InChIKey of ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate?
The InChIKey is UEBINCFKZPGEOX-PNQPDEHRSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-16-12(14)8-10-6-5-7-11(10)9-13(15)17-4-2/h8-9H,3-7H2,1-2H3/b10-8-,11-9+.
What are the key properties of ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate?
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate has a molecular weight of 238.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate is sourced from PubChem (CID 177463101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).