methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate

C8H14O6S — CID 43617881

IUPACmethyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate
SMILESCOC(=O)CCCS(=O)(=O)CC(=O)OC
InChIInChI=1S/C8H14O6S/c1-13-7(9)4-3-5-15(11,12)6-8(10)14-2/h3-6H2,1-2H3
InChIKeyIWLVTNARHDPBPH-UHFFFAOYSA-N
MW238.26 g/mol
LogP-0.47
Rot. Bonds6

About methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate

methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate (PubChem CID 43617881) has the molecular formula C8H14O6S and a molecular weight of 238.26 g/mol. Its IUPAC name is methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate.

Molecular Properties

Compound Namemethyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate
PubChem CID43617881
Molecular FormulaC8H14O6S
Molecular Weight238.26 g/mol
Exact Mass238.05
IUPAC Namemethyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate
SMILESCOC(=O)CCCS(=O)(=O)CC(=O)OC
InChIInChI=1S/C8H14O6S/c1-13-7(9)4-3-5-15(11,12)6-8(10)14-2/h3-6H2,1-2H3
InChIKeyIWLVTNARHDPBPH-UHFFFAOYSA-N
XLogP-0.47
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate
CID 102249368
methyl 2-(4-aminopentylsulfonyl)acetate
CID 64675170
methyl 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfonylacetate
CID 64636915
methyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylpropanoate
CID 116686629
methyl 3-ethylsulfonylpropanoate
CID 19377555
methyl 2-(6-amino-5,5-dimethylhexyl)sulfonylacetate
CID 106714759
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate?
The IUPAC name of methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate (CID 43617881) is methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate.
What is the SMILES notation for methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate?
The canonical SMILES for methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate is COC(=O)CCCS(=O)(=O)CC(=O)OC.
What is the InChIKey of methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate?
The InChIKey is IWLVTNARHDPBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6S/c1-13-7(9)4-3-5-15(11,12)6-8(10)14-2/h3-6H2,1-2H3.
What are the key properties of methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate?
methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate has a molecular weight of 238.26 g/mol, XLogP of -0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methoxy-2-oxoethyl)sulfonylbutanoate is sourced from PubChem (CID 43617881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).