copper;dodecane-1-sulfonic acid

C12H26CuO3S — CID 87837218

IUPACcopper;dodecane-1-sulfonic acid
SMILESCCCCCCCCCCCCS(=O)(=O)O.[Cu]
InChIInChI=1S/C12H26O3S.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);
InChIKeyWECXGMMHGFACAE-UHFFFAOYSA-N
MW313.95 g/mol
LogP3.79
Rot. Bonds11

About copper;dodecane-1-sulfonic acid

copper;dodecane-1-sulfonic acid (PubChem CID 87837218) has the molecular formula C12H26CuO3S and a molecular weight of 313.95 g/mol. Its IUPAC name is copper;dodecane-1-sulfonic acid.

Molecular Properties

Compound Namecopper;dodecane-1-sulfonic acid
PubChem CID87837218
Molecular FormulaC12H26CuO3S
Molecular Weight313.95 g/mol
Exact Mass313.09
IUPAC Namecopper;dodecane-1-sulfonic acid
SMILESCCCCCCCCCCCCS(=O)(=O)O.[Cu]
InChIInChI=1S/C12H26O3S.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);
InChIKeyWECXGMMHGFACAE-UHFFFAOYSA-N
XLogP3.79
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.95
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

decane-1-sulfonic acid
CID 157391186
azanium octadecane-1-sulfonic acid
CID 20560144
decane-1-sulfonic acid;silver
CID 72587294
azane;octadecane-1-sulfonic acid
CID 173437409
CID 87263567
CID 87263567
magnesium;hydride;triacontane-1-sulfonic acid
CID 173018039
magnesium;dodecane-1-sulfonic acid;hydride
CID 173017577
potassium;hexane-1-sulfonic acid;hydride
CID 173172538
gold;pentane-1-sulfonic acid
CID 174800543
sodium;dodecane-1-sulfonic acid;hydride;hydrochloride
CID 175497473
methanamine;pentane-1-sulfonic acid
CID 87578509
magnesium;hydride;pentane-1-sulfonic acid
CID 174919972

Frequently Asked Questions

What is the IUPAC name of copper;dodecane-1-sulfonic acid?
The IUPAC name of copper;dodecane-1-sulfonic acid (CID 87837218) is copper;dodecane-1-sulfonic acid.
What is the SMILES notation for copper;dodecane-1-sulfonic acid?
The canonical SMILES for copper;dodecane-1-sulfonic acid is CCCCCCCCCCCCS(=O)(=O)O.[Cu].
What is the InChIKey of copper;dodecane-1-sulfonic acid?
The InChIKey is WECXGMMHGFACAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3S.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);.
What are the key properties of copper;dodecane-1-sulfonic acid?
copper;dodecane-1-sulfonic acid has a molecular weight of 313.95 g/mol, XLogP of 3.79, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;dodecane-1-sulfonic acid is sourced from PubChem (CID 87837218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).