2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate

C17H24O6S — CID 118650319

IUPAC2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
SMILESC=C(CS(=O)(=O)c1ccc(C)cc1)C(=O)OCCOCCOCC
InChIInChI=1S/C17H24O6S/c1-4-21-9-10-22-11-12-23-17(18)15(3)13-24(19,20)16-7-5-14(2)6-8-16/h5-8H,3-4,9-13H2,1-2H3
InChIKeyJXJJKFXYYACDBU-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.92
Rot. Bonds11

About 2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate

2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate (PubChem CID 118650319) has the molecular formula C17H24O6S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
PubChem CID118650319
Molecular FormulaC17H24O6S
Molecular Weight356.44 g/mol
Exact Mass356.13
IUPAC Name2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
SMILESC=C(CS(=O)(=O)c1ccc(C)cc1)C(=O)OCCOCCOCC
InChIInChI=1S/C17H24O6S/c1-4-21-9-10-22-11-12-23-17(18)15(3)13-24(19,20)16-7-5-14(2)6-8-16/h5-8H,3-4,9-13H2,1-2H3
InChIKeyJXJJKFXYYACDBU-UHFFFAOYSA-N
XLogP1.92
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoyloxy]ethoxy]ethoxy]ethoxy]ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
CID 118650308
2-phenoxyethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
CID 134503885
10-(2-methylprop-2-enoyloxy)decyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate
CID 150357429
ethyl 2-(bromomethyl)prop-2-enoate;ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate;4-methylbenzenesulfonate
CID 159316240
2-[2-[2-[2-(4-methylphenyl)sulfonyloxyprop-2-enoyloxy]ethoxy]ethoxy]ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate
CID 122677510
bis[2-(4-methylphenyl)sulfonylethyl] oxalate
CID 58807069
2-[2-[2-[4-methyl-5-(4-methylphenyl)sulfonylpentoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 172829854
2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoic acid;bis(prop-1-ene)
CID 144994130
3-(4-methylphenyl)sulfonylprop-1-en-2-yl acetate
CID 12592297
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
2-ethoxyethyl 2-ethoxyprop-2-enoate
CID 57101637
3-(2-ethoxyethoxy)propyl 4-methylbenzenesulfonate
CID 139845279

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate (CID 118650319) is 2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate is C=C(CS(=O)(=O)c1ccc(C)cc1)C(=O)OCCOCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate?
The InChIKey is JXJJKFXYYACDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6S/c1-4-21-9-10-22-11-12-23-17(18)15(3)13-24(19,20)16-7-5-14(2)6-8-16/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate?
2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate has a molecular weight of 356.44 g/mol, XLogP of 1.92, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2-[(4-methylphenyl)sulfonylmethyl]prop-2-enoate is sourced from PubChem (CID 118650319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).