disodium;decane-1,10-disulfonate

C10H20Na2O6S2 — CID 87519177

IUPACdisodium;decane-1,10-disulfonate
SMILESO=S(=O)([O-])CCCCCCCCCCS(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C10H22O6S2.2Na/c11-17(12,13)9-7-5-3-1-2-4-6-8-10-18(14,15)16;;/h1-10H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2
InChIKeyZNOJFMHOMYZJIP-UHFFFAOYSA-L
MW346.38 g/mol
LogP-4.79
Rot. Bonds11

About disodium;decane-1,10-disulfonate

disodium;decane-1,10-disulfonate (PubChem CID 87519177) has the molecular formula C10H20Na2O6S2 and a molecular weight of 346.38 g/mol. Its IUPAC name is disodium;decane-1,10-disulfonate.

Molecular Properties

Compound Namedisodium;decane-1,10-disulfonate
PubChem CID87519177
Molecular FormulaC10H20Na2O6S2
Molecular Weight346.38 g/mol
Exact Mass346.05
IUPAC Namedisodium;decane-1,10-disulfonate
SMILESO=S(=O)([O-])CCCCCCCCCCS(=O)(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C10H22O6S2.2Na/c11-17(12,13)9-7-5-3-1-2-4-6-8-10-18(14,15)16;;/h1-10H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2
InChIKeyZNOJFMHOMYZJIP-UHFFFAOYSA-L
XLogP-4.79
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 5-4.79
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 disodium;decane-1,10-disulfonate?
The IUPAC name of disodium;decane-1,10-disulfonate (CID 87519177) is disodium;decane-1,10-disulfonate.
What is the SMILES notation for disodium;decane-1,10-disulfonate?
The canonical SMILES for disodium;decane-1,10-disulfonate is O=S(=O)([O-])CCCCCCCCCCS(=O)(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;decane-1,10-disulfonate?
The InChIKey is ZNOJFMHOMYZJIP-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H22O6S2.2Na/c11-17(12,13)9-7-5-3-1-2-4-6-8-10-18(14,15)16;;/h1-10H2,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2.
What are the key properties of disodium;decane-1,10-disulfonate?
disodium;decane-1,10-disulfonate has a molecular weight of 346.38 g/mol, XLogP of -4.79, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;decane-1,10-disulfonate is sourced from PubChem (CID 87519177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).