disodium;dodecane-1-sulfonate;hydroxide

C12H26Na2O4S — CID 141290299

IUPACdisodium;dodecane-1-sulfonate;hydroxide
SMILESCCCCCCCCCCCCS(=O)(=O)[O-].[Na+].[Na+].[OH-]
InChIInChI=1S/C12H26O3S.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;;;/h2-12H2,1H3,(H,13,14,15);;;1H2/q;2*+1;/p-2
InChIKeyQBGAFLQWDDXQAQ-UHFFFAOYSA-L
MW312.38 g/mol
LogP-2.72
Rot. Bonds11

About disodium;dodecane-1-sulfonate;hydroxide

disodium;dodecane-1-sulfonate;hydroxide (PubChem CID 141290299) has the molecular formula C12H26Na2O4S and a molecular weight of 312.38 g/mol. Its IUPAC name is disodium;dodecane-1-sulfonate;hydroxide.

Molecular Properties

Compound Namedisodium;dodecane-1-sulfonate;hydroxide
PubChem CID141290299
Molecular FormulaC12H26Na2O4S
Molecular Weight312.38 g/mol
Exact Mass312.13
IUPAC Namedisodium;dodecane-1-sulfonate;hydroxide
SMILESCCCCCCCCCCCCS(=O)(=O)[O-].[Na+].[Na+].[OH-]
InChIInChI=1S/C12H26O3S.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;;;/h2-12H2,1H3,(H,13,14,15);;;1H2/q;2*+1;/p-2
InChIKeyQBGAFLQWDDXQAQ-UHFFFAOYSA-L
XLogP-2.72
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 5-2.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

sodium dodecane-1-sulfonate
CID 23665726
CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758
cesium hexane-1-sulfonate
CID 141317548
silver pentadecane-1-sulfonate
CID 102573896
silver decane-1-sulfonate
CID 18615614
tris(heptane-1-sulfonate);lanthanum(3+)
CID 163364171
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741
aluminum tris(octadecane-1-sulfonate)
CID 158491370
sodium;pentane-1-sulfonate;hydrate
CID 23693099
potassium tridecane-1-sulfonate
CID 23711351
zinc bis(tetradecane-1-sulfonate)
CID 139716467

Frequently Asked Questions

What is the IUPAC name of disodium;dodecane-1-sulfonate;hydroxide?
The IUPAC name of disodium;dodecane-1-sulfonate;hydroxide (CID 141290299) is disodium;dodecane-1-sulfonate;hydroxide.
What is the SMILES notation for disodium;dodecane-1-sulfonate;hydroxide?
The canonical SMILES for disodium;dodecane-1-sulfonate;hydroxide is CCCCCCCCCCCCS(=O)(=O)[O-].[Na+].[Na+].[OH-].
What is the InChIKey of disodium;dodecane-1-sulfonate;hydroxide?
The InChIKey is QBGAFLQWDDXQAQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H26O3S.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;;;/h2-12H2,1H3,(H,13,14,15);;;1H2/q;2*+1;/p-2.
What are the key properties of disodium;dodecane-1-sulfonate;hydroxide?
disodium;dodecane-1-sulfonate;hydroxide has a molecular weight of 312.38 g/mol, XLogP of -2.72, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;dodecane-1-sulfonate;hydroxide is sourced from PubChem (CID 141290299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).