5-phenylpent-1-ene-1-sulfonic acid

C11H14O3S — CID 54140534

IUPAC5-phenylpent-1-ene-1-sulfonic acid
SMILESO=S(=O)(O)C=CCCCc1ccccc1
InChIInChI=1S/C11H14O3S/c12-15(13,14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-8,10H,2,5,9H2,(H,12,13,14)
InChIKeyOATUIYLEVSXLGK-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.41
Rot. Bonds5

About 5-phenylpent-1-ene-1-sulfonic acid

5-phenylpent-1-ene-1-sulfonic acid (PubChem CID 54140534) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-phenylpent-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name5-phenylpent-1-ene-1-sulfonic acid
PubChem CID54140534
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name5-phenylpent-1-ene-1-sulfonic acid
SMILESO=S(=O)(O)C=CCCCc1ccccc1
InChIInChI=1S/C11H14O3S/c12-15(13,14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-8,10H,2,5,9H2,(H,12,13,14)
InChIKeyOATUIYLEVSXLGK-UHFFFAOYSA-N
XLogP2.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.41
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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Related Compounds

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9-phenylnon-2-enamide
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N,N-dimethyl-9-phenylnonan-1-amine;2-phenylethenesulfonic acid
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10-phenyldecane-1-sulfonic acid
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[(E)-7-phenylhept-3-enyl] acetate
CID 102243528
(E)-7-phenyl-1-pyrrol-1-ylhept-2-en-1-one
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dodec-4-enylbenzene
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Frequently Asked Questions

What is the IUPAC name of 5-phenylpent-1-ene-1-sulfonic acid?
The IUPAC name of 5-phenylpent-1-ene-1-sulfonic acid (CID 54140534) is 5-phenylpent-1-ene-1-sulfonic acid.
What is the SMILES notation for 5-phenylpent-1-ene-1-sulfonic acid?
The canonical SMILES for 5-phenylpent-1-ene-1-sulfonic acid is O=S(=O)(O)C=CCCCc1ccccc1.
What is the InChIKey of 5-phenylpent-1-ene-1-sulfonic acid?
The InChIKey is OATUIYLEVSXLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c12-15(13,14)10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,6-8,10H,2,5,9H2,(H,12,13,14).
What are the key properties of 5-phenylpent-1-ene-1-sulfonic acid?
5-phenylpent-1-ene-1-sulfonic acid has a molecular weight of 226.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpent-1-ene-1-sulfonic acid is sourced from PubChem (CID 54140534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).