ethyl 2-cyclohexylsulfonylacetate

C10H18O4S — CID 56604723

IUPACethyl 2-cyclohexylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H18O4S/c1-2-14-10(11)8-15(12,13)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyUZEZJGAIWIFCAF-UHFFFAOYSA-N
MW234.32 g/mol
LogP1.30
Rot. Bonds4

About ethyl 2-cyclohexylsulfonylacetate

ethyl 2-cyclohexylsulfonylacetate (PubChem CID 56604723) has the molecular formula C10H18O4S and a molecular weight of 234.32 g/mol. Its IUPAC name is ethyl 2-cyclohexylsulfonylacetate.

Molecular Properties

Compound Nameethyl 2-cyclohexylsulfonylacetate
PubChem CID56604723
Molecular FormulaC10H18O4S
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Nameethyl 2-cyclohexylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H18O4S/c1-2-14-10(11)8-15(12,13)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKeyUZEZJGAIWIFCAF-UHFFFAOYSA-N
XLogP1.30
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexylsulfonylacetate?
The IUPAC name of ethyl 2-cyclohexylsulfonylacetate (CID 56604723) is ethyl 2-cyclohexylsulfonylacetate.
What is the SMILES notation for ethyl 2-cyclohexylsulfonylacetate?
The canonical SMILES for ethyl 2-cyclohexylsulfonylacetate is CCOC(=O)CS(=O)(=O)C1CCCCC1.
What is the InChIKey of ethyl 2-cyclohexylsulfonylacetate?
The InChIKey is UZEZJGAIWIFCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4S/c1-2-14-10(11)8-15(12,13)9-6-4-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of ethyl 2-cyclohexylsulfonylacetate?
ethyl 2-cyclohexylsulfonylacetate has a molecular weight of 234.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexylsulfonylacetate is sourced from PubChem (CID 56604723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).