11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid

C16H28O3S — CID 122366149

IUPAC11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCC1=CC=CC1
InChIInChI=1S/C16H28O3S/c17-20(18,19)15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9-10,13H,1-8,11-12,14-15H2,(H,17,18,19)
InChIKeyFDKTVJWOEFHBCP-UHFFFAOYSA-N
MW300.46 g/mol
LogP4.66
Rot. Bonds12

About 11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid

11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid (PubChem CID 122366149) has the molecular formula C16H28O3S and a molecular weight of 300.46 g/mol. Its IUPAC name is 11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid.

Molecular Properties

Compound Name11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid
PubChem CID122366149
Molecular FormulaC16H28O3S
Molecular Weight300.46 g/mol
Exact Mass300.18
IUPAC Name11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCC1=CC=CC1
InChIInChI=1S/C16H28O3S/c17-20(18,19)15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9-10,13H,1-8,11-12,14-15H2,(H,17,18,19)
InChIKeyFDKTVJWOEFHBCP-UHFFFAOYSA-N
XLogP4.66
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.46
LogP ≤ 54.66
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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CID 18172926
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CID 133062445
3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)silane
CID 162074048
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CID 153433992
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CID 58984189
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
8-(1H-imidazol-2-yl)octane-1-sulfonic acid
CID 18415205
chloro-(3-cyclopenta-1,3-dien-1-ylpropyl)-dimethylsilane
CID 154404543
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CID 157391186

Frequently Asked Questions

What is the IUPAC name of 11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid?
The IUPAC name of 11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid (CID 122366149) is 11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid.
What is the SMILES notation for 11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid?
The canonical SMILES for 11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid is O=S(=O)(O)CCCCCCCCCCCC1=CC=CC1.
What is the InChIKey of 11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid?
The InChIKey is FDKTVJWOEFHBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3S/c17-20(18,19)15-11-7-5-3-1-2-4-6-8-12-16-13-9-10-14-16/h9-10,13H,1-8,11-12,14-15H2,(H,17,18,19).
What are the key properties of 11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid?
11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid has a molecular weight of 300.46 g/mol, XLogP of 4.66, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclopenta-1,3-dien-1-ylundecane-1-sulfonic acid is sourced from PubChem (CID 122366149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).