(E)-dodec-6-ene-6-sulfonic acid

C12H24O3S — CID 14419921

IUPAC(E)-dodec-6-ene-6-sulfonic acid
SMILESCCCCC/C=C(\CCCCC)S(=O)(=O)O
InChIInChI=1S/C12H24O3S/c1-3-5-7-9-11-12(16(13,14)15)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,13,14,15)/b12-11+
InChIKeySAYIIXVBSOMBAO-VAWYXSNFSA-N
MW248.39 g/mol
LogP3.92
Rot. Bonds9

About (E)-dodec-6-ene-6-sulfonic acid

(E)-dodec-6-ene-6-sulfonic acid (PubChem CID 14419921) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is (E)-dodec-6-ene-6-sulfonic acid.

Molecular Properties

Compound Name(E)-dodec-6-ene-6-sulfonic acid
PubChem CID14419921
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name(E)-dodec-6-ene-6-sulfonic acid
SMILESCCCCC/C=C(\CCCCC)S(=O)(=O)O
InChIInChI=1S/C12H24O3S/c1-3-5-7-9-11-12(16(13,14)15)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,13,14,15)/b12-11+
InChIKeySAYIIXVBSOMBAO-VAWYXSNFSA-N
XLogP3.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-6-ene-6-sulfonic acid?
The IUPAC name of (E)-dodec-6-ene-6-sulfonic acid (CID 14419921) is (E)-dodec-6-ene-6-sulfonic acid.
What is the SMILES notation for (E)-dodec-6-ene-6-sulfonic acid?
The canonical SMILES for (E)-dodec-6-ene-6-sulfonic acid is CCCCC/C=C(\CCCCC)S(=O)(=O)O.
What is the InChIKey of (E)-dodec-6-ene-6-sulfonic acid?
The InChIKey is SAYIIXVBSOMBAO-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H24O3S/c1-3-5-7-9-11-12(16(13,14)15)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,13,14,15)/b12-11+.
What are the key properties of (E)-dodec-6-ene-6-sulfonic acid?
(E)-dodec-6-ene-6-sulfonic acid has a molecular weight of 248.39 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodec-6-ene-6-sulfonic acid is sourced from PubChem (CID 14419921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).