(E)-dodec-2-ene-1-sulfonic acid

C12H24O3S — CID 23287932

IUPAC(E)-dodec-2-ene-1-sulfonic acid
SMILESCCCCCCCCC/C=C/CS(=O)(=O)O
InChIInChI=1S/C12H24O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h10-11H,2-9,12H2,1H3,(H,13,14,15)/b11-10+
InChIKeyOLNHOZCVPDAKRJ-ZHACJKMWSA-N
MW248.39 g/mol
LogP3.57
Rot. Bonds10

About (E)-dodec-2-ene-1-sulfonic acid

(E)-dodec-2-ene-1-sulfonic acid (PubChem CID 23287932) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is (E)-dodec-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-dodec-2-ene-1-sulfonic acid
PubChem CID23287932
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name(E)-dodec-2-ene-1-sulfonic acid
SMILESCCCCCCCCC/C=C/CS(=O)(=O)O
InChIInChI=1S/C12H24O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h10-11H,2-9,12H2,1H3,(H,13,14,15)/b11-10+
InChIKeyOLNHOZCVPDAKRJ-ZHACJKMWSA-N
XLogP3.57
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-dodec-2-ene-1-sulfonic acid?
The IUPAC name of (E)-dodec-2-ene-1-sulfonic acid (CID 23287932) is (E)-dodec-2-ene-1-sulfonic acid.
What is the SMILES notation for (E)-dodec-2-ene-1-sulfonic acid?
The canonical SMILES for (E)-dodec-2-ene-1-sulfonic acid is CCCCCCCCC/C=C/CS(=O)(=O)O.
What is the InChIKey of (E)-dodec-2-ene-1-sulfonic acid?
The InChIKey is OLNHOZCVPDAKRJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h10-11H,2-9,12H2,1H3,(H,13,14,15)/b11-10+.
What are the key properties of (E)-dodec-2-ene-1-sulfonic acid?
(E)-dodec-2-ene-1-sulfonic acid has a molecular weight of 248.39 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodec-2-ene-1-sulfonic acid is sourced from PubChem (CID 23287932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).