5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate

C10H14O6S2 — CID 87857105

IUPAC5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate
SMILESC=CS(=O)(=O)OC(C)C#CC(C)OS(=O)(=O)C=C
InChIInChI=1S/C10H14O6S2/c1-5-17(11,12)15-9(3)7-8-10(4)16-18(13,14)6-2/h5-6,9-10H,1-2H2,3-4H3
InChIKeyVWWDTEQEVJUCPP-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.75
Rot. Bonds6

About 5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate

5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate (PubChem CID 87857105) has the molecular formula C10H14O6S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate.

Molecular Properties

Compound Name5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate
PubChem CID87857105
Molecular FormulaC10H14O6S2
Molecular Weight294.35 g/mol
Exact Mass294.02
IUPAC Name5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate
SMILESC=CS(=O)(=O)OC(C)C#CC(C)OS(=O)(=O)C=C
InChIInChI=1S/C10H14O6S2/c1-5-17(11,12)15-9(3)7-8-10(4)16-18(13,14)6-2/h5-6,9-10H,1-2H2,3-4H3
InChIKeyVWWDTEQEVJUCPP-UHFFFAOYSA-N
XLogP0.75
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate?
The IUPAC name of 5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate (CID 87857105) is 5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate.
What is the SMILES notation for 5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate?
The canonical SMILES for 5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate is C=CS(=O)(=O)OC(C)C#CC(C)OS(=O)(=O)C=C.
What is the InChIKey of 5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate?
The InChIKey is VWWDTEQEVJUCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6S2/c1-5-17(11,12)15-9(3)7-8-10(4)16-18(13,14)6-2/h5-6,9-10H,1-2H2,3-4H3.
What are the key properties of 5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate?
5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate has a molecular weight of 294.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylsulfonyloxyhex-3-yn-2-yl ethenesulfonate is sourced from PubChem (CID 87857105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).