sodium;dodecane;sulfate

C12H26NaO4S- — CID 23355954

IUPACsodium;dodecane;sulfate
SMILESCCCCCCCCCCCC.O=S(=O)([O-])[O-].[Na+]
InChIInChI=1S/C12H26.Na.H2O4S/c1-3-5-7-9-11-12-10-8-6-4-2;;1-5(2,3)4/h3-12H2,1-2H3;;(H2,1,2,3,4)/q;+1;/p-2
InChIKeyOXFBEKBYLOKGFN-UHFFFAOYSA-L
MW289.39 g/mol
LogP0.59
Rot. Bonds9

About sodium;dodecane;sulfate

sodium;dodecane;sulfate (PubChem CID 23355954) has the molecular formula C12H26NaO4S- and a molecular weight of 289.39 g/mol. Its IUPAC name is sodium;dodecane;sulfate.

Molecular Properties

Compound Namesodium;dodecane;sulfate
PubChem CID23355954
Molecular FormulaC12H26NaO4S-
Molecular Weight289.39 g/mol
Exact Mass289.15
IUPAC Namesodium;dodecane;sulfate
SMILESCCCCCCCCCCCC.O=S(=O)([O-])[O-].[Na+]
InChIInChI=1S/C12H26.Na.H2O4S/c1-3-5-7-9-11-12-10-8-6-4-2;;1-5(2,3)4/h3-12H2,1-2H3;;(H2,1,2,3,4)/q;+1;/p-2
InChIKeyOXFBEKBYLOKGFN-UHFFFAOYSA-L
XLogP0.59
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.59
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'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze sodium;dodecane;sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

disodium;bis(tetradecane);sulfate
CID 173098136
disodium;1-hexadecoxyoctadecane;sulfate
CID 175155385
disodium;dodecan-1-ol;molecular oxygen;sulfate
CID 174277972
disodium;1-tridecoxytridecane;sulfate
CID 57376278
octylazanium;sulfate
CID 87714647
sodium dodecane-1-sulfonate
CID 23665726
bis(nonan-1-amine);sulfate
CID 21153128
hexylazanium;sulfate
CID 88757421
zinc;octan-1-ol;sulfate
CID 174737582
dioctyltin(2+) sulfate
CID 160759291
disodium;dodecane-1-sulfonate;hydroxide
CID 141290299
sodium;sulfuric acid;tetradecane
CID 170922474

Frequently Asked Questions

What is the IUPAC name of sodium;dodecane;sulfate?
The IUPAC name of sodium;dodecane;sulfate (CID 23355954) is sodium;dodecane;sulfate.
What is the SMILES notation for sodium;dodecane;sulfate?
The canonical SMILES for sodium;dodecane;sulfate is CCCCCCCCCCCC.O=S(=O)([O-])[O-].[Na+].
What is the InChIKey of sodium;dodecane;sulfate?
The InChIKey is OXFBEKBYLOKGFN-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H26.Na.H2O4S/c1-3-5-7-9-11-12-10-8-6-4-2;;1-5(2,3)4/h3-12H2,1-2H3;;(H2,1,2,3,4)/q;+1;/p-2.
What are the key properties of sodium;dodecane;sulfate?
sodium;dodecane;sulfate has a molecular weight of 289.39 g/mol, XLogP of 0.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;dodecane;sulfate is sourced from PubChem (CID 23355954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).