ethenyl 2-ethenylbenzenesulfonate;styrene

C18H18O3S — CID 174365120

IUPACethenyl 2-ethenylbenzenesulfonate;styrene
SMILESC=COS(=O)(=O)c1ccccc1C=C.C=Cc1ccccc1
InChIInChI=1S/C10H10O3S.C8H8/c1-3-9-7-5-6-8-10(9)14(11,12)13-4-2;1-2-8-6-4-3-5-7-8/h3-8H,1-2H2;2-7H,1H2
InChIKeyXHKZIRAKEPKGMG-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.51
Rot. Bonds5

About ethenyl 2-ethenylbenzenesulfonate;styrene

ethenyl 2-ethenylbenzenesulfonate;styrene (PubChem CID 174365120) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is ethenyl 2-ethenylbenzenesulfonate;styrene.

Molecular Properties

Compound Nameethenyl 2-ethenylbenzenesulfonate;styrene
PubChem CID174365120
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Nameethenyl 2-ethenylbenzenesulfonate;styrene
SMILESC=COS(=O)(=O)c1ccccc1C=C.C=Cc1ccccc1
InChIInChI=1S/C10H10O3S.C8H8/c1-3-9-7-5-6-8-10(9)14(11,12)13-4-2;1-2-8-6-4-3-5-7-8/h3-8H,1-2H2;2-7H,1H2
InChIKeyXHKZIRAKEPKGMG-UHFFFAOYSA-N
XLogP4.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethenyl 2-phenylethenesulfonate;styrene
CID 174440573
ethenoxyethene;ethenyl benzenesulfonate
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CID 88835909
CID 88835909
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CID 161490655
cesium 2-ethenylbenzenesulfonate
CID 87464479
lithium;2-ethenylbenzenesulfonic acid;hydride
CID 173052957
2-hydroxybenzenesulfonic acid;styrene
CID 175395013
formaldehyde;molybdenum;styrene
CID 173281730
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CID 68985344
benzene;ethene;styrene
CID 159006852
CID 57450570
CID 57450570
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CID 158944156

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-ethenylbenzenesulfonate;styrene?
The IUPAC name of ethenyl 2-ethenylbenzenesulfonate;styrene (CID 174365120) is ethenyl 2-ethenylbenzenesulfonate;styrene.
What is the SMILES notation for ethenyl 2-ethenylbenzenesulfonate;styrene?
The canonical SMILES for ethenyl 2-ethenylbenzenesulfonate;styrene is C=COS(=O)(=O)c1ccccc1C=C.C=Cc1ccccc1.
What is the InChIKey of ethenyl 2-ethenylbenzenesulfonate;styrene?
The InChIKey is XHKZIRAKEPKGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S.C8H8/c1-3-9-7-5-6-8-10(9)14(11,12)13-4-2;1-2-8-6-4-3-5-7-8/h3-8H,1-2H2;2-7H,1H2.
What are the key properties of ethenyl 2-ethenylbenzenesulfonate;styrene?
ethenyl 2-ethenylbenzenesulfonate;styrene has a molecular weight of 314.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-ethenylbenzenesulfonate;styrene is sourced from PubChem (CID 174365120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).