2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate

C8H14O6S2 — CID 87856500

IUPAC2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OCCOS(=O)(=O)CC=C
InChIInChI=1S/C8H14O6S2/c1-3-7-15(9,10)13-5-6-14-16(11,12)8-4-2/h3-4H,1-2,5-8H2
InChIKeyAYVOPUFLSZUQPU-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.05
Rot. Bonds9

About 2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate

2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate (PubChem CID 87856500) has the molecular formula C8H14O6S2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate.

Molecular Properties

Compound Name2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate
PubChem CID87856500
Molecular FormulaC8H14O6S2
Molecular Weight270.33 g/mol
Exact Mass270.02
IUPAC Name2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OCCOS(=O)(=O)CC=C
InChIInChI=1S/C8H14O6S2/c1-3-7-15(9,10)13-5-6-14-16(11,12)8-4-2/h3-4H,1-2,5-8H2
InChIKeyAYVOPUFLSZUQPU-UHFFFAOYSA-N
XLogP0.05
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

2-Propenyl 2-propenethiosulfonate
CID 88093432
Diethyleneglycol bis(allylsulfonate)
CID 88618590
2-Propene-1-sulfonic acid, 2-propenyl ester
CID 12134110
Butane-1,4-diyl bisprop-2-ene-1-sulfonate
CID 229682
Ethyl prop-2-ene-1-sulfonate
CID 261057
Bis(ethenyl) butane-1,4-disulfonate
CID 21972135
3-Ethenyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide
CID 57903645
Ethenyl prop-2-ene-1-sulfonate
CID 59566544
Bis(prop-2-enyl) prop-2-ene-1,1-disulfonate
CID 87135705
Ethenoxy prop-2-ene-1-sulfonate
CID 87145340
2-Prop-2-enylsulfonyloxyethenesulfonic acid
CID 87493801
Propyl prop-2-ene-1-sulfonate
CID 87742229

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate?
The IUPAC name of 2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate (CID 87856500) is 2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate.
What is the SMILES notation for 2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate?
The canonical SMILES for 2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate is C=CCS(=O)(=O)OCCOS(=O)(=O)CC=C.
What is the InChIKey of 2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate?
The InChIKey is AYVOPUFLSZUQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6S2/c1-3-7-15(9,10)13-5-6-14-16(11,12)8-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate?
2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate has a molecular weight of 270.33 g/mol, XLogP of 0.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfonyloxyethyl prop-2-ene-1-sulfonate is sourced from PubChem (CID 87856500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).