cyclopentylcyclopentane;propane-1,3-disulfonic acid

C13H26O6S2 — CID 174762180

IUPACcyclopentylcyclopentane;propane-1,3-disulfonic acid
SMILESC1CCC(C2CCCC2)C1.O=S(=O)(O)CCCS(=O)(=O)O
InChIInChI=1S/C10H18.C3H8O6S2/c1-2-6-9(5-1)10-7-3-4-8-10;4-10(5,6)2-1-3-11(7,8)9/h9-10H,1-8H2;1-3H2,(H,4,5,6)(H,7,8,9)
InChIKeyBPLBGISFMHOSRE-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.52
Rot. Bonds5

About cyclopentylcyclopentane;propane-1,3-disulfonic acid

cyclopentylcyclopentane;propane-1,3-disulfonic acid (PubChem CID 174762180) has the molecular formula C13H26O6S2 and a molecular weight of 342.48 g/mol. Its IUPAC name is cyclopentylcyclopentane;propane-1,3-disulfonic acid.

Molecular Properties

Compound Namecyclopentylcyclopentane;propane-1,3-disulfonic acid
PubChem CID174762180
Molecular FormulaC13H26O6S2
Molecular Weight342.48 g/mol
Exact Mass342.12
IUPAC Namecyclopentylcyclopentane;propane-1,3-disulfonic acid
SMILESC1CCC(C2CCCC2)C1.O=S(=O)(O)CCCS(=O)(=O)O
InChIInChI=1S/C10H18.C3H8O6S2/c1-2-6-9(5-1)10-7-3-4-8-10;4-10(5,6)2-1-3-11(7,8)9/h9-10H,1-8H2;1-3H2,(H,4,5,6)(H,7,8,9)
InChIKeyBPLBGISFMHOSRE-UHFFFAOYSA-N
XLogP2.52
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylcyclohexane;sulfuric acid
CID 67093853
CID 88853027
CID 88853027
10-cyclohexyldecane-1-sulfonic acid
CID 150281509
octane-1,8-disulfonic acid
CID 18172926
4-[(2S)-2-methylcyclohexyl]butane-1-sulfonic acid
CID 58053016
N-cyclohexylcyclohexanamine;ethane-1,2-disulfonic acid
CID 175379057
pentane-1,5-disulfonic acid;hydrate
CID 133062445
butane-1,4-disulfonic acid;ethene
CID 173210763
3-(3-bicyclo[3.3.1]nonanyl)propane-1-sulfonic acid
CID 129082398
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455

Frequently Asked Questions

What is the IUPAC name of cyclopentylcyclopentane;propane-1,3-disulfonic acid?
The IUPAC name of cyclopentylcyclopentane;propane-1,3-disulfonic acid (CID 174762180) is cyclopentylcyclopentane;propane-1,3-disulfonic acid.
What is the SMILES notation for cyclopentylcyclopentane;propane-1,3-disulfonic acid?
The canonical SMILES for cyclopentylcyclopentane;propane-1,3-disulfonic acid is C1CCC(C2CCCC2)C1.O=S(=O)(O)CCCS(=O)(=O)O.
What is the InChIKey of cyclopentylcyclopentane;propane-1,3-disulfonic acid?
The InChIKey is BPLBGISFMHOSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C3H8O6S2/c1-2-6-9(5-1)10-7-3-4-8-10;4-10(5,6)2-1-3-11(7,8)9/h9-10H,1-8H2;1-3H2,(H,4,5,6)(H,7,8,9).
What are the key properties of cyclopentylcyclopentane;propane-1,3-disulfonic acid?
cyclopentylcyclopentane;propane-1,3-disulfonic acid has a molecular weight of 342.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylcyclopentane;propane-1,3-disulfonic acid is sourced from PubChem (CID 174762180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).