ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate

C10H14O7S2 — CID 87668512

IUPACethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate
SMILESC=COS(=O)(=O)C(C=C)OC(C=C)S(=O)(=O)OC=C
InChIInChI=1S/C10H14O7S2/c1-5-9(18(11,12)15-7-3)17-10(6-2)19(13,14)16-8-4/h5-10H,1-4H2
InChIKeyJPVSRVCDQIWXGE-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.01
Rot. Bonds10

About ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate

ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate (PubChem CID 87668512) has the molecular formula C10H14O7S2 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate.

Molecular Properties

Compound Nameethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate
PubChem CID87668512
Molecular FormulaC10H14O7S2
Molecular Weight310.35 g/mol
Exact Mass310.02
IUPAC Nameethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate
SMILESC=COS(=O)(=O)C(C=C)OC(C=C)S(=O)(=O)OC=C
InChIInChI=1S/C10H14O7S2/c1-5-9(18(11,12)15-7-3)17-10(6-2)19(13,14)16-8-4/h5-10H,1-4H2
InChIKeyJPVSRVCDQIWXGE-UHFFFAOYSA-N
XLogP1.01
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate?
The IUPAC name of ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate (CID 87668512) is ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate.
What is the SMILES notation for ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate?
The canonical SMILES for ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate is C=COS(=O)(=O)C(C=C)OC(C=C)S(=O)(=O)OC=C.
What is the InChIKey of ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate?
The InChIKey is JPVSRVCDQIWXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O7S2/c1-5-9(18(11,12)15-7-3)17-10(6-2)19(13,14)16-8-4/h5-10H,1-4H2.
What are the key properties of ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate?
ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate has a molecular weight of 310.35 g/mol, XLogP of 1.01, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 1-(1-ethenoxysulfonylprop-2-enoxy)prop-2-ene-1-sulfonate is sourced from PubChem (CID 87668512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).