ethyl 2-cyclohexyl-2-methylsulfonylacetate

C11H20O4S — CID 102551218

IUPACethyl 2-cyclohexyl-2-methylsulfonylacetate
SMILESCCOC(=O)C(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C11H20O4S/c1-3-15-11(12)10(16(2,13)14)9-7-5-4-6-8-9/h9-10H,3-8H2,1-2H3
InChIKeyMPYLQOGFHUTLKH-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.54
Rot. Bonds4

About ethyl 2-cyclohexyl-2-methylsulfonylacetate

ethyl 2-cyclohexyl-2-methylsulfonylacetate (PubChem CID 102551218) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is ethyl 2-cyclohexyl-2-methylsulfonylacetate.

Molecular Properties

Compound Nameethyl 2-cyclohexyl-2-methylsulfonylacetate
PubChem CID102551218
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Nameethyl 2-cyclohexyl-2-methylsulfonylacetate
SMILESCCOC(=O)C(C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C11H20O4S/c1-3-15-11(12)10(16(2,13)14)9-7-5-4-6-8-9/h9-10H,3-8H2,1-2H3
InChIKeyMPYLQOGFHUTLKH-UHFFFAOYSA-N
XLogP1.54
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R)-2-cyclohexyl-2-ethylsulfonylacetate
CID 99991155
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ethyl (2R)-3-amino-2-cyclohexylpropanoate
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diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984
3-cyclohexyl-2-cyclopentyl-4-ethoxy-4-oxobutanoic acid
CID 150375972
ethyl 2-cyclohexyl-3-ethoxypropanoate
CID 66831061
ethyl 2-cyclohexyl-4-hydroxypentanoate
CID 10466333
ethyl 2-cyclohexyl-2-piperidin-1-ylacetate
CID 117066804
ethyl 2-cyclohexylsulfonylbutanoate
CID 64660670
diethyl 2-(5-cyclopentylhexyl)propanedioate
CID 70540896
ethyl 4-chloro-4-cyclohexyl-2-methyl-3-oxobutanoate
CID 57041187

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyl-2-methylsulfonylacetate?
The IUPAC name of ethyl 2-cyclohexyl-2-methylsulfonylacetate (CID 102551218) is ethyl 2-cyclohexyl-2-methylsulfonylacetate.
What is the SMILES notation for ethyl 2-cyclohexyl-2-methylsulfonylacetate?
The canonical SMILES for ethyl 2-cyclohexyl-2-methylsulfonylacetate is CCOC(=O)C(C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of ethyl 2-cyclohexyl-2-methylsulfonylacetate?
The InChIKey is MPYLQOGFHUTLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-3-15-11(12)10(16(2,13)14)9-7-5-4-6-8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-cyclohexyl-2-methylsulfonylacetate?
ethyl 2-cyclohexyl-2-methylsulfonylacetate has a molecular weight of 248.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyl-2-methylsulfonylacetate is sourced from PubChem (CID 102551218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).