ethenoxyethene;ethenyl benzenesulfonate

C12H14O4S — CID 175360719

IUPACethenoxyethene;ethenyl benzenesulfonate
SMILESC=COC=C.C=COS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H8O3S.C4H6O/c1-2-11-12(9,10)8-6-4-3-5-7-8;1-3-5-4-2/h2-7H,1H2;3-4H,1-2H2
InChIKeyTVJJAYJQENFJPZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.83
Rot. Bonds5

About ethenoxyethene;ethenyl benzenesulfonate

ethenoxyethene;ethenyl benzenesulfonate (PubChem CID 175360719) has the molecular formula C12H14O4S and a molecular weight of 254.31 g/mol. Its IUPAC name is ethenoxyethene;ethenyl benzenesulfonate.

Molecular Properties

Compound Nameethenoxyethene;ethenyl benzenesulfonate
PubChem CID175360719
Molecular FormulaC12H14O4S
Molecular Weight254.31 g/mol
Exact Mass254.06
IUPAC Nameethenoxyethene;ethenyl benzenesulfonate
SMILESC=COC=C.C=COS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H8O3S.C4H6O/c1-2-11-12(9,10)8-6-4-3-5-7-8;1-3-5-4-2/h2-7H,1H2;3-4H,1-2H2
InChIKeyTVJJAYJQENFJPZ-UHFFFAOYSA-N
XLogP2.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 88835909
CID 88835909
CID 87702131
CID 87702131
ethenyl 2-ethenylbenzenesulfonate;styrene
CID 174365120
benzenesulfonyl methanimidate
CID 163764192
cerium;prop-2-enyl benzenesulfonate
CID 174496226
1-(1-ethenoxyethoxy)ethyl benzenesulfonate
CID 140539990
[(E)-benzenesulfonyloxydiazenyl] benzenesulfonate
CID 144681395
CID 172719968
CID 172719968
but-1-enyl benzenesulfonate
CID 142644575
[3-(benzenesulfonyloxy)-4-methylpentan-2-yl] benzenesulfonate
CID 89440454
(113C)ethenylsulfonylbenzene
CID 66995821
fluoro benzenesulfonate
CID 145272167

Frequently Asked Questions

What is the IUPAC name of ethenoxyethene;ethenyl benzenesulfonate?
The IUPAC name of ethenoxyethene;ethenyl benzenesulfonate (CID 175360719) is ethenoxyethene;ethenyl benzenesulfonate.
What is the SMILES notation for ethenoxyethene;ethenyl benzenesulfonate?
The canonical SMILES for ethenoxyethene;ethenyl benzenesulfonate is C=COC=C.C=COS(=O)(=O)c1ccccc1.
What is the InChIKey of ethenoxyethene;ethenyl benzenesulfonate?
The InChIKey is TVJJAYJQENFJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.C4H6O/c1-2-11-12(9,10)8-6-4-3-5-7-8;1-3-5-4-2/h2-7H,1H2;3-4H,1-2H2.
What are the key properties of ethenoxyethene;ethenyl benzenesulfonate?
ethenoxyethene;ethenyl benzenesulfonate has a molecular weight of 254.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxyethene;ethenyl benzenesulfonate is sourced from PubChem (CID 175360719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).