pentane-1,5-disulfonoperoxoic acid

C5H12O8S2 — CID 174970696

IUPACpentane-1,5-disulfonoperoxoic acid
SMILESO=S(=O)(CCCCCS(=O)(=O)OO)OO
InChIInChI=1S/C5H12O8S2/c6-12-14(8,9)4-2-1-3-5-15(10,11)13-7/h6-7H,1-5H2
InChIKeyWMCIZSGKRCBVRR-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.20
Rot. Bonds8

About pentane-1,5-disulfonoperoxoic acid

pentane-1,5-disulfonoperoxoic acid (PubChem CID 174970696) has the molecular formula C5H12O8S2 and a molecular weight of 264.28 g/mol. Its IUPAC name is pentane-1,5-disulfonoperoxoic acid.

Molecular Properties

Compound Namepentane-1,5-disulfonoperoxoic acid
PubChem CID174970696
Molecular FormulaC5H12O8S2
Molecular Weight264.28 g/mol
Exact Mass264.00
IUPAC Namepentane-1,5-disulfonoperoxoic acid
SMILESO=S(=O)(CCCCCS(=O)(=O)OO)OO
InChIInChI=1S/C5H12O8S2/c6-12-14(8,9)4-2-1-3-5-15(10,11)13-7/h6-7H,1-5H2
InChIKeyWMCIZSGKRCBVRR-UHFFFAOYSA-N
XLogP-0.20
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;4-nitroheptane-1,7-disulfonoperoxoic acid
CID 173165634
hydroxymethyl heptane-1-sulfonate
CID 174685391
8-methylperoxysulfonyloctane-1-sulfonic acid
CID 139442898
bis(1-formylcyclohexyl) pentane-1,5-disulfonate
CID 152823078
octane-1,8-disulfonic acid
CID 18172926
pentane-1,5-disulfonyl fluoride
CID 126970733
dihydroxymethyl heptane-1-sulfonate
CID 175282358
pentane-1,5-disulfonic acid;hydrate
CID 133062445
ethyl dodecane-1-sulfonate
CID 91372072
phosphanyl tetradecane-1-sulfonate
CID 139601424
ethyl decane-1-sulfonate
CID 22672297
ethyl nonane-1-sulfonate
CID 152681372

Frequently Asked Questions

What is the IUPAC name of pentane-1,5-disulfonoperoxoic acid?
The IUPAC name of pentane-1,5-disulfonoperoxoic acid (CID 174970696) is pentane-1,5-disulfonoperoxoic acid.
What is the SMILES notation for pentane-1,5-disulfonoperoxoic acid?
The canonical SMILES for pentane-1,5-disulfonoperoxoic acid is O=S(=O)(CCCCCS(=O)(=O)OO)OO.
What is the InChIKey of pentane-1,5-disulfonoperoxoic acid?
The InChIKey is WMCIZSGKRCBVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O8S2/c6-12-14(8,9)4-2-1-3-5-15(10,11)13-7/h6-7H,1-5H2.
What are the key properties of pentane-1,5-disulfonoperoxoic acid?
pentane-1,5-disulfonoperoxoic acid has a molecular weight of 264.28 g/mol, XLogP of -0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,5-disulfonoperoxoic acid is sourced from PubChem (CID 174970696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).