cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate

C11H20O4S — CID 123117295

IUPACcyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate
SMILESCC(C(=O)OC1CCCCC1)S(=O)CCO
InChIInChI=1S/C11H20O4S/c1-9(16(14)8-7-12)11(13)15-10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeyGZHMYJXMELWGTM-UHFFFAOYSA-N
MW248.34 g/mol
LogP0.99
Rot. Bonds5

About cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate

cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate (PubChem CID 123117295) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate.

Molecular Properties

Compound Namecyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate
PubChem CID123117295
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Namecyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate
SMILESCC(C(=O)OC1CCCCC1)S(=O)CCO
InChIInChI=1S/C11H20O4S/c1-9(16(14)8-7-12)11(13)15-10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3
InChIKeyGZHMYJXMELWGTM-UHFFFAOYSA-N
XLogP0.99
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate?
The IUPAC name of cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate (CID 123117295) is cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate.
What is the SMILES notation for cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate?
The canonical SMILES for cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate is CC(C(=O)OC1CCCCC1)S(=O)CCO.
What is the InChIKey of cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate?
The InChIKey is GZHMYJXMELWGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c1-9(16(14)8-7-12)11(13)15-10-5-3-2-4-6-10/h9-10,12H,2-8H2,1H3.
What are the key properties of cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate?
cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate has a molecular weight of 248.34 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(2-hydroxyethylsulfinyl)propanoate is sourced from PubChem (CID 123117295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).