tert-butyl 2-ethenylsulfonylacetate

C8H14O4S — CID 119031248

IUPACtert-butyl 2-ethenylsulfonylacetate
SMILESC=CS(=O)(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C8H14O4S/c1-5-13(10,11)6-7(9)12-8(2,3)4/h5H,1,6H2,2-4H3
InChIKeyLUIDIEJSPJROKT-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.89
Rot. Bonds3

About tert-butyl 2-ethenylsulfonylacetate

tert-butyl 2-ethenylsulfonylacetate (PubChem CID 119031248) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is tert-butyl 2-ethenylsulfonylacetate.

Molecular Properties

Compound Nametert-butyl 2-ethenylsulfonylacetate
PubChem CID119031248
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Nametert-butyl 2-ethenylsulfonylacetate
SMILESC=CS(=O)(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C8H14O4S/c1-5-13(10,11)6-7(9)12-8(2,3)4/h5H,1,6H2,2-4H3
InChIKeyLUIDIEJSPJROKT-UHFFFAOYSA-N
XLogP0.89
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(3,3-dimethyl-2-oxobutyl)sulfonylacetate
CID 116688131
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylpropanoate
CID 116686610
methyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfonylpropanoate
CID 116686629
tert-butyl 2-cyclopentylsulfonylacetate
CID 73425315
2-chloro-1-ethenylsulfonyl-4,4-dimethylpent-2-ene
CID 173041848
tert-butyl prop-2-enoate;palladium;sulfuric acid
CID 174893480
tert-butyl 2-[(1R,2S)-1-(2-cyclopropylsulfonylacetyl)-2-ethenylcyclopropyl]acetate
CID 58558877
tert-butyl 2-(but-3-enoylamino)acetate
CID 13110976
ditert-butyl pentanedioate
CID 3016405
tert-butyl prop-2-enoate
CID 158231977
tert-butyl propanoate;hydrobromide
CID 172778720
tert-butyl (E)-5-oxohex-3-enoate
CID 102126041

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethenylsulfonylacetate?
The IUPAC name of tert-butyl 2-ethenylsulfonylacetate (CID 119031248) is tert-butyl 2-ethenylsulfonylacetate.
What is the SMILES notation for tert-butyl 2-ethenylsulfonylacetate?
The canonical SMILES for tert-butyl 2-ethenylsulfonylacetate is C=CS(=O)(=O)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethenylsulfonylacetate?
The InChIKey is LUIDIEJSPJROKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-5-13(10,11)6-7(9)12-8(2,3)4/h5H,1,6H2,2-4H3.
What are the key properties of tert-butyl 2-ethenylsulfonylacetate?
tert-butyl 2-ethenylsulfonylacetate has a molecular weight of 206.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethenylsulfonylacetate is sourced from PubChem (CID 119031248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).