ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate

C14H24O3 — CID 174738160

IUPACethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate
SMILESCCOC(=O)CC1(CCC(C)=O)CCCCC1
InChIInChI=1S/C14H24O3/c1-3-17-13(16)11-14(10-7-12(2)15)8-5-4-6-9-14/h3-11H2,1-2H3
InChIKeyLOPCGOQEFSYCRA-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.26
Rot. Bonds6

About ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate

ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate (PubChem CID 174738160) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate
PubChem CID174738160
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Nameethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate
SMILESCCOC(=O)CC1(CCC(C)=O)CCCCC1
InChIInChI=1S/C14H24O3/c1-3-17-13(16)11-14(10-7-12(2)15)8-5-4-6-9-14/h3-11H2,1-2H3
InChIKeyLOPCGOQEFSYCRA-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
3-[1-(3-ethoxy-3-oxopropyl)cyclobutyl]propanoic acid
CID 69312461
ethyl 2-[1-(2-thiophen-2-ylethyl)cyclopentyl]acetate
CID 10778190
4-(1-aminocyclopentyl)butan-2-one
CID 59453961
ethyl 2-[1-[[(2-amino-3-hydroxypropanoyl)amino]methyl]cyclohexyl]acetate
CID 11414953
ethyl 2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]acetate
CID 83316807
ethyl 2-[1-(propylamino)cyclohexyl]acetate
CID 65235367
ethyl 4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]butanoate
CID 104678297
ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate
CID 11220628
diethyl propanedioate;ethyl 3-oxobutanoate;methyl 3-oxobutanoate
CID 162260175
ethyl 2-[4-(methylamino)oxepan-4-yl]acetate
CID 65236733
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate?
The IUPAC name of ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate (CID 174738160) is ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate is CCOC(=O)CC1(CCC(C)=O)CCCCC1.
What is the InChIKey of ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate?
The InChIKey is LOPCGOQEFSYCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-17-13(16)11-14(10-7-12(2)15)8-5-4-6-9-14/h3-11H2,1-2H3.
What are the key properties of ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate?
ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate has a molecular weight of 240.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(3-oxobutyl)cyclohexyl]acetate is sourced from PubChem (CID 174738160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).