1-(cyclopenten-1-yl)hexane-1-sulfonic acid

C11H20O3S — CID 134926050

IUPAC1-(cyclopenten-1-yl)hexane-1-sulfonic acid
SMILESCCCCCC(C1=CCCC1)S(=O)(=O)O
InChIInChI=1S/C11H20O3S/c1-2-3-4-9-11(15(12,13)14)10-7-5-6-8-10/h7,11H,2-6,8-9H2,1H3,(H,12,13,14)
InChIKeyLTQCLBMZCQECJC-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.93
Rot. Bonds6

About 1-(cyclopenten-1-yl)hexane-1-sulfonic acid

1-(cyclopenten-1-yl)hexane-1-sulfonic acid (PubChem CID 134926050) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)hexane-1-sulfonic acid.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)hexane-1-sulfonic acid
PubChem CID134926050
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name1-(cyclopenten-1-yl)hexane-1-sulfonic acid
SMILESCCCCCC(C1=CCCC1)S(=O)(=O)O
InChIInChI=1S/C11H20O3S/c1-2-3-4-9-11(15(12,13)14)10-7-5-6-8-10/h7,11H,2-6,8-9H2,1H3,(H,12,13,14)
InChIKeyLTQCLBMZCQECJC-UHFFFAOYSA-N
XLogP2.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)hexane-1-sulfonic acid?
The IUPAC name of 1-(cyclopenten-1-yl)hexane-1-sulfonic acid (CID 134926050) is 1-(cyclopenten-1-yl)hexane-1-sulfonic acid.
What is the SMILES notation for 1-(cyclopenten-1-yl)hexane-1-sulfonic acid?
The canonical SMILES for 1-(cyclopenten-1-yl)hexane-1-sulfonic acid is CCCCCC(C1=CCCC1)S(=O)(=O)O.
What is the InChIKey of 1-(cyclopenten-1-yl)hexane-1-sulfonic acid?
The InChIKey is LTQCLBMZCQECJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-2-3-4-9-11(15(12,13)14)10-7-5-6-8-10/h7,11H,2-6,8-9H2,1H3,(H,12,13,14).
What are the key properties of 1-(cyclopenten-1-yl)hexane-1-sulfonic acid?
1-(cyclopenten-1-yl)hexane-1-sulfonic acid has a molecular weight of 232.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)hexane-1-sulfonic acid is sourced from PubChem (CID 134926050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).