ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid

C8H14O8S2 — CID 19833290

IUPACethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
SMILESC=C(C)C(=O)OC(C)S(=O)(=O)O.C=CS(=O)(=O)O
InChIInChI=1S/C6H10O5S.C2H4O3S/c1-4(2)6(7)11-5(3)12(8,9)10;1-2-6(3,4)5/h5H,1H2,2-3H3,(H,8,9,10);2H,1H2,(H,3,4,5)
InChIKeyTXJRBJHFQFWOSD-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.36
Rot. Bonds4

About ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid

ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid (PubChem CID 19833290) has the molecular formula C8H14O8S2 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid.

Molecular Properties

Compound Nameethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
PubChem CID19833290
Molecular FormulaC8H14O8S2
Molecular Weight302.33 g/mol
Exact Mass302.01
IUPAC Nameethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
SMILESC=C(C)C(=O)OC(C)S(=O)(=O)O.C=CS(=O)(=O)O
InChIInChI=1S/C6H10O5S.C2H4O3S/c1-4(2)6(7)11-5(3)12(8,9)10;1-2-6(3,4)5/h5H,1H2,2-3H3,(H,8,9,10);2H,1H2,(H,3,4,5)
InChIKeyTXJRBJHFQFWOSD-UHFFFAOYSA-N
XLogP0.36
TPSA135.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

calcium 1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 19966600
1-(2-methylprop-2-enoyloxy)prop-2-ene-1-sulfonic acid
CID 87647233
but-3-en-2-yl 2-methylprop-2-enoate;carbonic acid
CID 175587057
1-fluoro-2-(2-methylprop-2-enoyloxy)propane-1-sulfonic acid
CID 150023778
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
1,1-difluoro-2-[1-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonic acid
CID 58491434
1-cyclohexylsulfonylethyl 2-methylprop-2-enoate
CID 171762763
1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium
CID 173115892
ethenylsulfonyl 2-methylprop-2-enoate
CID 87143223

Frequently Asked Questions

What is the IUPAC name of ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid?
The IUPAC name of ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid (CID 19833290) is ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid.
What is the SMILES notation for ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid?
The canonical SMILES for ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid is C=C(C)C(=O)OC(C)S(=O)(=O)O.C=CS(=O)(=O)O.
What is the InChIKey of ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid?
The InChIKey is TXJRBJHFQFWOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5S.C2H4O3S/c1-4(2)6(7)11-5(3)12(8,9)10;1-2-6(3,4)5/h5H,1H2,2-3H3,(H,8,9,10);2H,1H2,(H,3,4,5).
What are the key properties of ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid?
ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid has a molecular weight of 302.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethenesulfonic acid;1-(2-methylprop-2-enoyloxy)ethanesulfonic acid is sourced from PubChem (CID 19833290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).