2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate

C10H18O7S2 — CID 88618590

IUPAC2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OCCOCCOS(=O)(=O)CC=C
InChIInChI=1S/C10H18O7S2/c1-3-9-18(11,12)16-7-5-15-6-8-17-19(13,14)10-4-2/h3-4H,1-2,5-10H2
InChIKeyGNGXDJXOLDVXNT-UHFFFAOYSA-N
MW314.38 g/mol
LogP0.07
Rot. Bonds12

About 2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate

2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate (PubChem CID 88618590) has the molecular formula C10H18O7S2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate.

Molecular Properties

Compound Name2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate
PubChem CID88618590
Molecular FormulaC10H18O7S2
Molecular Weight314.38 g/mol
Exact Mass314.05
IUPAC Name2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OCCOCCOS(=O)(=O)CC=C
InChIInChI=1S/C10H18O7S2/c1-3-9-18(11,12)16-7-5-15-6-8-17-19(13,14)10-4-2/h3-4H,1-2,5-10H2
InChIKeyGNGXDJXOLDVXNT-UHFFFAOYSA-N
XLogP0.07
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate?
The IUPAC name of 2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate (CID 88618590) is 2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate.
What is the SMILES notation for 2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate?
The canonical SMILES for 2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate is C=CCS(=O)(=O)OCCOCCOS(=O)(=O)CC=C.
What is the InChIKey of 2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate?
The InChIKey is GNGXDJXOLDVXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7S2/c1-3-9-18(11,12)16-7-5-15-6-8-17-19(13,14)10-4-2/h3-4H,1-2,5-10H2.
What are the key properties of 2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate?
2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate has a molecular weight of 314.38 g/mol, XLogP of 0.07, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylsulfonyloxyethoxy)ethyl prop-2-ene-1-sulfonate is sourced from PubChem (CID 88618590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).