11-phenylundec-1-ene-1-sulfonic acid

C17H26O3S — CID 54264801

IUPAC11-phenylundec-1-ene-1-sulfonic acid
SMILESO=S(=O)(O)C=CCCCCCCCCCc1ccccc1
InChIInChI=1S/C17H26O3S/c18-21(19,20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-12,14-16H,1-7,9,13H2,(H,18,19,20)
InChIKeyRFZUBQDCOZZIPG-UHFFFAOYSA-N
MW310.46 g/mol
LogP4.75
Rot. Bonds11

About 11-phenylundec-1-ene-1-sulfonic acid

11-phenylundec-1-ene-1-sulfonic acid (PubChem CID 54264801) has the molecular formula C17H26O3S and a molecular weight of 310.46 g/mol. Its IUPAC name is 11-phenylundec-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name11-phenylundec-1-ene-1-sulfonic acid
PubChem CID54264801
Molecular FormulaC17H26O3S
Molecular Weight310.46 g/mol
Exact Mass310.16
IUPAC Name11-phenylundec-1-ene-1-sulfonic acid
SMILESO=S(=O)(O)C=CCCCCCCCCCc1ccccc1
InChIInChI=1S/C17H26O3S/c18-21(19,20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-12,14-16H,1-7,9,13H2,(H,18,19,20)
InChIKeyRFZUBQDCOZZIPG-UHFFFAOYSA-N
XLogP4.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 54.75
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 11-phenylundec-1-ene-1-sulfonic acid?
The IUPAC name of 11-phenylundec-1-ene-1-sulfonic acid (CID 54264801) is 11-phenylundec-1-ene-1-sulfonic acid.
What is the SMILES notation for 11-phenylundec-1-ene-1-sulfonic acid?
The canonical SMILES for 11-phenylundec-1-ene-1-sulfonic acid is O=S(=O)(O)C=CCCCCCCCCCc1ccccc1.
What is the InChIKey of 11-phenylundec-1-ene-1-sulfonic acid?
The InChIKey is RFZUBQDCOZZIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3S/c18-21(19,20)16-12-7-5-3-1-2-4-6-9-13-17-14-10-8-11-15-17/h8,10-12,14-16H,1-7,9,13H2,(H,18,19,20).
What are the key properties of 11-phenylundec-1-ene-1-sulfonic acid?
11-phenylundec-1-ene-1-sulfonic acid has a molecular weight of 310.46 g/mol, XLogP of 4.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenylundec-1-ene-1-sulfonic acid is sourced from PubChem (CID 54264801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).