ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate

C11H18O4 — CID 129073639

IUPACethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
SMILESCCOC(=O)C1(OCC)CCC(=O)CC1
InChIInChI=1S/C11H18O4/c1-3-14-10(13)11(15-4-2)7-5-9(12)6-8-11/h3-8H2,1-2H3
InChIKeyUZLALWOVYQHYSG-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.47
Rot. Bonds4

About ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate

ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate (PubChem CID 129073639) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
PubChem CID129073639
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
SMILESCCOC(=O)C1(OCC)CCC(=O)CC1
InChIInChI=1S/C11H18O4/c1-3-14-10(13)11(15-4-2)7-5-9(12)6-8-11/h3-8H2,1-2H3
InChIKeyUZLALWOVYQHYSG-UHFFFAOYSA-N
XLogP1.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 129073640
benzyl 1-ethoxy-4-methylidenecyclohexane-1-carboxylate
CID 90353865
ethyl 2-(7-oxospiro[3.5]nonan-2-yl)acetate
CID 142578322
ethyl 2-ethyl-5-oxopyrrolidine-2-carboxylate
CID 58405373
ethyl (1S)-1-methyl-2-oxocyclohexane-1-carboxylate
CID 67188808
1-O'-(2,5-dioxopyrrolidin-1-yl) 1-O-ethyl cyclobutane-1,1-dicarboxylate
CID 118183207
ethyl 1-methyl-2-oxocycloheptane-1-carboxylate
CID 14667932
diethyl 6-oxooxane-3,3-dicarboxylate
CID 172560862
ethyl 1-methyl-2-oxocyclododecane-1-carboxylate
CID 101250461
ethyl 7-oxospiro[3.5]nonane-2-carboxylate
CID 171536506
diethyl 6,8-dioxobicyclo[3.2.2]nonane-1,5-dicarboxylate
CID 2825180

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate (CID 129073639) is ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate is CCOC(=O)C1(OCC)CCC(=O)CC1.
What is the InChIKey of ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate?
The InChIKey is UZLALWOVYQHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-14-10(13)11(15-4-2)7-5-9(12)6-8-11/h3-8H2,1-2H3.
What are the key properties of ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate?
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate is sourced from PubChem (CID 129073639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).