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

C6H12O3S — CID 15607239

IUPAC(E)-hex-2-ene-1-sulfonic acid
SMILESCCC/C=C/CS(=O)(=O)O
InChIInChI=1S/C6H12O3S/c1-2-3-4-5-6-10(7,8)9/h4-5H,2-3,6H2,1H3,(H,7,8,9)/b5-4+
InChIKeyQRGNNXMQPNQPFS-SNAWJCMRSA-N
MW164.23 g/mol
LogP1.23
Rot. Bonds4

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

(E)-hex-2-ene-1-sulfonic acid (PubChem CID 15607239) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (E)-hex-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-hex-2-ene-1-sulfonic acid
PubChem CID15607239
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(E)-hex-2-ene-1-sulfonic acid
SMILESCCC/C=C/CS(=O)(=O)O
InChIInChI=1S/C6H12O3S/c1-2-3-4-5-6-10(7,8)9/h4-5H,2-3,6H2,1H3,(H,7,8,9)/b5-4+
InChIKeyQRGNNXMQPNQPFS-SNAWJCMRSA-N
XLogP1.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-ene-1-sulfonic acid
CID 12712111
(E)-oct-2-ene-1-sulfonic acid
CID 14449295
Cyclohexa-1,4-diene-1-sulfonic acid
CID 18457857
Hex-5-ene-1-sulfonic acid
CID 21496846
1-Hexenesulphonic acid
CID 54389059
Pentaene-4-sulfonic acid
CID 88512370
2-Hexenyl methyl sulfone
CID 129668047
4-Methylcyclohexa-2,4-diene-1-sulfonic acid
CID 17953462
But-3-ene-1-sulfonic acid
CID 20236112
(E)-dodec-2-ene-1-sulfonic acid
CID 23287932
But-1-ene-1-sulfonic acid
CID 54426367
Hex-3-ene-1-sulfonyl fluoride
CID 140109504

Frequently Asked Questions

What is the IUPAC name of (E)-hex-2-ene-1-sulfonic acid?
The IUPAC name of (E)-hex-2-ene-1-sulfonic acid (CID 15607239) is (E)-hex-2-ene-1-sulfonic acid.
What is the SMILES notation for (E)-hex-2-ene-1-sulfonic acid?
The canonical SMILES for (E)-hex-2-ene-1-sulfonic acid is CCC/C=C/CS(=O)(=O)O.
What is the InChIKey of (E)-hex-2-ene-1-sulfonic acid?
The InChIKey is QRGNNXMQPNQPFS-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H12O3S/c1-2-3-4-5-6-10(7,8)9/h4-5H,2-3,6H2,1H3,(H,7,8,9)/b5-4+.
What are the key properties of (E)-hex-2-ene-1-sulfonic acid?
(E)-hex-2-ene-1-sulfonic acid has a molecular weight of 164.23 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-2-ene-1-sulfonic acid is sourced from PubChem (CID 15607239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).