ethyl 3-cyclohexylsulfinylpropanoate

C11H20O3S — CID 11436210

IUPACethyl 3-cyclohexylsulfinylpropanoate
SMILESCCOC(=O)CCS(=O)C1CCCCC1
InChIInChI=1S/C11H20O3S/c1-2-14-11(12)8-9-15(13)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyQEGWHBFXZZJDSF-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.02
Rot. Bonds5

About ethyl 3-cyclohexylsulfinylpropanoate

ethyl 3-cyclohexylsulfinylpropanoate (PubChem CID 11436210) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is ethyl 3-cyclohexylsulfinylpropanoate.

Molecular Properties

Compound Nameethyl 3-cyclohexylsulfinylpropanoate
PubChem CID11436210
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Nameethyl 3-cyclohexylsulfinylpropanoate
SMILESCCOC(=O)CCS(=O)C1CCCCC1
InChIInChI=1S/C11H20O3S/c1-2-14-11(12)8-9-15(13)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKeyQEGWHBFXZZJDSF-UHFFFAOYSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-cyclohexylsulfinylpropanoate
CID 61301801
ethyl 3-cyclopentylsulfinylbutanoate
CID 63115480
3-ethoxy-3-oxopropane-1-sulfinate
CID 57008838
ethyl 8-cyclohexyl-8-oxooctanoate
CID 24727431
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
cyclooctanamine;ethyl 3-aminopropanoate;hydrochloride
CID 160592906
cyclohexane;ethyl 3-hydroxypropanoate
CID 66723780
2-cyclopentylsulfinylethanamine
CID 58684642
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
cyclohexane;ethyl 4-hydroxybutanoate
CID 67158425
ethyl 3-[cyclooctanecarbonyl(methyl)amino]propanoate
CID 65023078
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclohexylsulfinylpropanoate?
The IUPAC name of ethyl 3-cyclohexylsulfinylpropanoate (CID 11436210) is ethyl 3-cyclohexylsulfinylpropanoate.
What is the SMILES notation for ethyl 3-cyclohexylsulfinylpropanoate?
The canonical SMILES for ethyl 3-cyclohexylsulfinylpropanoate is CCOC(=O)CCS(=O)C1CCCCC1.
What is the InChIKey of ethyl 3-cyclohexylsulfinylpropanoate?
The InChIKey is QEGWHBFXZZJDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-2-14-11(12)8-9-15(13)10-6-4-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of ethyl 3-cyclohexylsulfinylpropanoate?
ethyl 3-cyclohexylsulfinylpropanoate has a molecular weight of 232.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclohexylsulfinylpropanoate is sourced from PubChem (CID 11436210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).