ethyl 2-(2-methylprop-2-enylsulfonyl)acetate

C8H14O4S — CID 12007542

IUPACethyl 2-(2-methylprop-2-enylsulfonyl)acetate
SMILESC=C(C)CS(=O)(=O)CC(=O)OCC
InChIInChI=1S/C8H14O4S/c1-4-12-8(9)6-13(10,11)5-7(2)3/h2,4-6H2,1,3H3
InChIKeyFIYGJBABRYFBII-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.54
Rot. Bonds5

About ethyl 2-(2-methylprop-2-enylsulfonyl)acetate

ethyl 2-(2-methylprop-2-enylsulfonyl)acetate (PubChem CID 12007542) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is ethyl 2-(2-methylprop-2-enylsulfonyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methylprop-2-enylsulfonyl)acetate
PubChem CID12007542
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Nameethyl 2-(2-methylprop-2-enylsulfonyl)acetate
SMILESC=C(C)CS(=O)(=O)CC(=O)OCC
InChIInChI=1S/C8H14O4S/c1-4-12-8(9)6-13(10,11)5-7(2)3/h2,4-6H2,1,3H3
InChIKeyFIYGJBABRYFBII-UHFFFAOYSA-N
XLogP0.54
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-[(2-ethoxy-2-oxoethyl)sulfonylmethyl]prop-2-enoate
CID 12007543
Methyl 2-(3-methylbut-3-enylsulfonyl)acetate
CID 11206534
ethyl 2-[(E)-but-2-en-2-yl]sulfonylacetate
CID 21604324
Ethyl 2-prop-2-enylsulfonylacetate
CID 14648347
2-Ethylsulfonylethyl 2-methylprop-2-enoate
CID 19428438
1-Propylsulfonylethyl 2-methylprop-2-enoate
CID 21976185
1-Ethylsulfonylethyl 2-methylprop-2-enoate
CID 21976188
1-Butylsulfonylethyl 2-methylprop-2-enoate
CID 21976192
2-[2-(2-Methylprop-2-enoyloxy)ethylsulfonyl]acetate
CID 23391439
2-[3-(2-Methylprop-2-enoyloxy)propylsulfonyl]acetate
CID 23561523
2-Butylsulfonylethyl 2-methylprop-2-enoate
CID 53909056
2-Propylsulfonylethyl 2-methylprop-2-enoate
CID 54183308

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylprop-2-enylsulfonyl)acetate?
The IUPAC name of ethyl 2-(2-methylprop-2-enylsulfonyl)acetate (CID 12007542) is ethyl 2-(2-methylprop-2-enylsulfonyl)acetate.
What is the SMILES notation for ethyl 2-(2-methylprop-2-enylsulfonyl)acetate?
The canonical SMILES for ethyl 2-(2-methylprop-2-enylsulfonyl)acetate is C=C(C)CS(=O)(=O)CC(=O)OCC.
What is the InChIKey of ethyl 2-(2-methylprop-2-enylsulfonyl)acetate?
The InChIKey is FIYGJBABRYFBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-4-12-8(9)6-13(10,11)5-7(2)3/h2,4-6H2,1,3H3.
What are the key properties of ethyl 2-(2-methylprop-2-enylsulfonyl)acetate?
ethyl 2-(2-methylprop-2-enylsulfonyl)acetate has a molecular weight of 206.26 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylprop-2-enylsulfonyl)acetate is sourced from PubChem (CID 12007542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).