ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate

C17H28O4 — CID 11833373

IUPACethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate
SMILESCCOC(=O)CCC/C1=C(\C(=O)OCC)CCCCCC1
InChIInChI=1S/C17H28O4/c1-3-20-16(18)13-9-11-14-10-7-5-6-8-12-15(14)17(19)21-4-2/h3-13H2,1-2H3/b15-14-
InChIKeyMPDYQWHCMLQXJX-PFONDFGASA-N
MW296.41 g/mol
LogP3.93
Rot. Bonds7

About ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate

ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate (PubChem CID 11833373) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate
PubChem CID11833373
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Nameethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate
SMILESCCOC(=O)CCC/C1=C(\C(=O)OCC)CCCCCC1
InChIInChI=1S/C17H28O4/c1-3-20-16(18)13-9-11-14-10-7-5-6-8-12-15(14)17(19)21-4-2/h3-13H2,1-2H3/b15-14-
InChIKeyMPDYQWHCMLQXJX-PFONDFGASA-N
XLogP3.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (1Z)-2-(5-ethoxy-5-oxopentyl)cyclododecene-1-carboxylate
CID 100941297
ethyl 1-(4-ethoxy-4-oxobutyl)-3,4,5,6,7,8-hexahydronaphthalene-2-carboxylate
CID 100941295
methyl 2-(2-ethoxy-2-oxoethyl)cyclohexene-1-carboxylate
CID 24869697
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425
ethyl 2-iodocyclohexene-1-carboxylate
CID 11065817
diethyl hexanedioate
CID 160747628
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
ethyl 2-(2-methylsulfanylcarbonylcyclohexen-1-yl)acetate
CID 14742266
diethyl icosanedioate
CID 5058538
ethyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate
CID 54708306
ethyl 2-[(3-methoxy-3-oxopropanoyl)amino]cycloheptene-1-carboxylate
CID 54551622
ethyl 4-(4-hydroxyphenyl)butanoate
CID 11333255

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate?
The IUPAC name of ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate (CID 11833373) is ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate.
What is the SMILES notation for ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate?
The canonical SMILES for ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate is CCOC(=O)CCC/C1=C(\C(=O)OCC)CCCCCC1.
What is the InChIKey of ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate?
The InChIKey is MPDYQWHCMLQXJX-PFONDFGASA-N. The full InChI is InChI=1S/C17H28O4/c1-3-20-16(18)13-9-11-14-10-7-5-6-8-12-15(14)17(19)21-4-2/h3-13H2,1-2H3/b15-14-.
What are the key properties of ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate?
ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-2-(4-ethoxy-4-oxobutyl)cyclooctene-1-carboxylate is sourced from PubChem (CID 11833373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).