2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate

C17H22O7S — CID 137379114

IUPAC2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate
SMILESC=C(OS(=O)(=O)c1ccc(C)cc1)C(=O)OCCOC1CCCCO1
InChIInChI=1S/C17H22O7S/c1-13-6-8-15(9-7-13)25(19,20)24-14(2)17(18)23-12-11-22-16-5-3-4-10-21-16/h6-9,16H,2-5,10-12H2,1H3
InChIKeyWYOHUSVJMCZMEA-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.30
Rot. Bonds8

About 2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate

2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate (PubChem CID 137379114) has the molecular formula C17H22O7S and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate.

Molecular Properties

Compound Name2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate
PubChem CID137379114
Molecular FormulaC17H22O7S
Molecular Weight370.42 g/mol
Exact Mass370.11
IUPAC Name2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate
SMILESC=C(OS(=O)(=O)c1ccc(C)cc1)C(=O)OCCOC1CCCCO1
InChIInChI=1S/C17H22O7S/c1-13-6-8-15(9-7-13)25(19,20)24-14(2)17(18)23-12-11-22-16-5-3-4-10-21-16/h6-9,16H,2-5,10-12H2,1H3
InChIKeyWYOHUSVJMCZMEA-UHFFFAOYSA-N
XLogP2.30
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(4-methylphenyl)sulfonyloxyprop-2-enoyloxy]ethoxy]ethoxy]ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate
CID 122677510
8-(oxan-2-yloxy)octyl 4-methylbenzenesulfonate
CID 11361125
8-[8-(oxan-2-yloxy)octoxy]octyl 4-methylbenzenesulfonate
CID 10815638
2-[2-[3-(oxan-2-yloxy)propoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 177266304
2-[2-(oxan-2-yloxy)ethyldisulfanyl]ethyl 4-methylbenzenesulfonate
CID 91809459
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
[(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] 4-methylbenzenesulfonate
CID 11246822
[2-(4-methylphenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate
CID 18003721
[(2S)-3-(oxan-2-yloxy)-2-phenylmethoxypropyl] 4-methylbenzenesulfonate
CID 10251580
2-[[3,5,5-trimethyl-6-[2-[2-(4-methylphenyl)sulfonyloxyprop-2-enoyloxy]ethoxycarbonylamino]hexyl]carbamoyloxy]ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate
CID 122677501
methyl 7-methyl-2-(4-methylphenyl)sulfonyl-6-[2-(oxolan-2-yloxy)ethyl]-1,3-dihydroisoindole-4-carboxylate
CID 132578791
bis[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethyl] 2,2-dimethylpropanedioate
CID 54155676

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate?
The IUPAC name of 2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate (CID 137379114) is 2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate.
What is the SMILES notation for 2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate?
The canonical SMILES for 2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate is C=C(OS(=O)(=O)c1ccc(C)cc1)C(=O)OCCOC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate?
The InChIKey is WYOHUSVJMCZMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O7S/c1-13-6-8-15(9-7-13)25(19,20)24-14(2)17(18)23-12-11-22-16-5-3-4-10-21-16/h6-9,16H,2-5,10-12H2,1H3.
What are the key properties of 2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate?
2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate has a molecular weight of 370.42 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)ethyl 2-(4-methylphenyl)sulfonyloxyprop-2-enoate is sourced from PubChem (CID 137379114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).