undecane-1,11-disulfonate

C11H22O6S2-2 — CID 23618255

IUPACundecane-1,11-disulfonate
SMILESO=S(=O)([O-])CCCCCCCCCCCS(=O)(=O)[O-]
InChIInChI=1S/C11H24O6S2/c12-18(13,14)10-8-6-4-2-1-3-5-7-9-11-19(15,16)17/h1-11H2,(H,12,13,14)(H,15,16,17)/p-2
InChIKeyAEDOSWHQLBMHOC-UHFFFAOYSA-L
MW314.43 g/mol
LogP1.59
Rot. Bonds12

About undecane-1,11-disulfonate

undecane-1,11-disulfonate (PubChem CID 23618255) has the molecular formula C11H22O6S2-2 and a molecular weight of 314.43 g/mol. Its IUPAC name is undecane-1,11-disulfonate.

Molecular Properties

Compound Nameundecane-1,11-disulfonate
PubChem CID23618255
Molecular FormulaC11H22O6S2-2
Molecular Weight314.43 g/mol
Exact Mass314.09
IUPAC Nameundecane-1,11-disulfonate
SMILESO=S(=O)([O-])CCCCCCCCCCCS(=O)(=O)[O-]
InChIInChI=1S/C11H24O6S2/c12-18(13,14)10-8-6-4-2-1-3-5-7-9-11-19(15,16)17/h1-11H2,(H,12,13,14)(H,15,16,17)/p-2
InChIKeyAEDOSWHQLBMHOC-UHFFFAOYSA-L
XLogP1.59
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 undecane-1,11-disulfonate?
The IUPAC name of undecane-1,11-disulfonate (CID 23618255) is undecane-1,11-disulfonate.
What is the SMILES notation for undecane-1,11-disulfonate?
The canonical SMILES for undecane-1,11-disulfonate is O=S(=O)([O-])CCCCCCCCCCCS(=O)(=O)[O-].
What is the InChIKey of undecane-1,11-disulfonate?
The InChIKey is AEDOSWHQLBMHOC-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H24O6S2/c12-18(13,14)10-8-6-4-2-1-3-5-7-9-11-19(15,16)17/h1-11H2,(H,12,13,14)(H,15,16,17)/p-2.
What are the key properties of undecane-1,11-disulfonate?
undecane-1,11-disulfonate has a molecular weight of 314.43 g/mol, XLogP of 1.59, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for undecane-1,11-disulfonate is sourced from PubChem (CID 23618255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).