butane-1-sulfonic acid;ethenyl acetate

C8H16O5S — CID 158689658

IUPACbutane-1-sulfonic acid;ethenyl acetate
SMILESC=COC(C)=O.CCCCS(=O)(=O)O
InChIInChI=1S/C4H10O3S.C4H6O2/c1-2-3-4-8(5,6)7;1-3-6-4(2)5/h2-4H2,1H3,(H,5,6,7);3H,1H2,2H3
InChIKeyIGELDABDHKBYEO-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.37
Rot. Bonds4

About butane-1-sulfonic acid;ethenyl acetate

butane-1-sulfonic acid;ethenyl acetate (PubChem CID 158689658) has the molecular formula C8H16O5S and a molecular weight of 224.28 g/mol. Its IUPAC name is butane-1-sulfonic acid;ethenyl acetate.

Molecular Properties

Compound Namebutane-1-sulfonic acid;ethenyl acetate
PubChem CID158689658
Molecular FormulaC8H16O5S
Molecular Weight224.28 g/mol
Exact Mass224.07
IUPAC Namebutane-1-sulfonic acid;ethenyl acetate
SMILESC=COC(C)=O.CCCCS(=O)(=O)O
InChIInChI=1S/C4H10O3S.C4H6O2/c1-2-3-4-8(5,6)7;1-3-6-4(2)5/h2-4H2,1H3,(H,5,6,7);3H,1H2,2H3
InChIKeyIGELDABDHKBYEO-UHFFFAOYSA-N
XLogP1.37
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane-1-sulfonic acid;ethenyl acetate?
The IUPAC name of butane-1-sulfonic acid;ethenyl acetate (CID 158689658) is butane-1-sulfonic acid;ethenyl acetate.
What is the SMILES notation for butane-1-sulfonic acid;ethenyl acetate?
The canonical SMILES for butane-1-sulfonic acid;ethenyl acetate is C=COC(C)=O.CCCCS(=O)(=O)O.
What is the InChIKey of butane-1-sulfonic acid;ethenyl acetate?
The InChIKey is IGELDABDHKBYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S.C4H6O2/c1-2-3-4-8(5,6)7;1-3-6-4(2)5/h2-4H2,1H3,(H,5,6,7);3H,1H2,2H3.
What are the key properties of butane-1-sulfonic acid;ethenyl acetate?
butane-1-sulfonic acid;ethenyl acetate has a molecular weight of 224.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1-sulfonic acid;ethenyl acetate is sourced from PubChem (CID 158689658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).