sodium;bis(dodecane);ethanol;hydride;sulfuric acid

C26H63NaO9S2 — CID 175019584

IUPACsodium;bis(dodecane);ethanol;hydride;sulfuric acid
SMILESCCCCCCCCCCCC.CCCCCCCCCCCC.CCO.O=S(=O)(O)O.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/2C12H26.C2H6O.Na.2H2O4S.H/c2*1-3-5-7-9-11-12-10-8-6-4-2;1-2-3;;2*1-5(2,3)4;/h2*3-12H2,1-2H3;3H,2H2,1H3;;2*(H2,1,2,3,4);/q;;;+1;;;-1
InChIKeyWXGURMZDJXZJKR-UHFFFAOYSA-N
MW606.91 g/mol
LogP5.66
Rot. Bonds18

About sodium;bis(dodecane);ethanol;hydride;sulfuric acid

sodium;bis(dodecane);ethanol;hydride;sulfuric acid (PubChem CID 175019584) has the molecular formula C26H63NaO9S2 and a molecular weight of 606.91 g/mol. Its IUPAC name is sodium;bis(dodecane);ethanol;hydride;sulfuric acid.

Molecular Properties

Compound Namesodium;bis(dodecane);ethanol;hydride;sulfuric acid
PubChem CID175019584
Molecular FormulaC26H63NaO9S2
Molecular Weight606.91 g/mol
Exact Mass606.38
IUPAC Namesodium;bis(dodecane);ethanol;hydride;sulfuric acid
SMILESCCCCCCCCCCCC.CCCCCCCCCCCC.CCO.O=S(=O)(O)O.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/2C12H26.C2H6O.Na.2H2O4S.H/c2*1-3-5-7-9-11-12-10-8-6-4-2;1-2-3;;2*1-5(2,3)4;/h2*3-12H2,1-2H3;3H,2H2,1H3;;2*(H2,1,2,3,4);/q;;;+1;;;-1
InChIKeyWXGURMZDJXZJKR-UHFFFAOYSA-N
XLogP5.66
TPSA169.43 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.91
LogP ≤ 55.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sodium;bis(dodecane);ethanol;hydride;sulfuric acid 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

sodium;hydride;sulfuric acid;undecane
CID 172996516
magnesium;disodium;dodecane;hydride;sulfuric acid
CID 175302264
sodium;sulfuric acid;tetradecane
CID 170922474
sulfuric acid;tridecane
CID 91872702
sodium;dodecan-1-ol;hydride;sulfuric acid;hydrate
CID 173456985
sodium;hydride;pentan-1-ol;sulfuric acid
CID 175097757
magnesium;dodecan-1-ol;hydride;sulfuric acid
CID 174836259
sulfuric acid;tetradecan-1-ol
CID 87699970
octan-1-ol;sulfuric acid;zinc
CID 174737842
sulfuric acid;tetradecane;tetradecan-1-ol;hydrate
CID 174900097
dodecan-1-ol;sulfane;sulfuric acid
CID 174348674
sodium;hydride;sulfuric acid;1-tetradecoxytetradecane
CID 173005905

Frequently Asked Questions

What is the IUPAC name of sodium;bis(dodecane);ethanol;hydride;sulfuric acid?
The IUPAC name of sodium;bis(dodecane);ethanol;hydride;sulfuric acid (CID 175019584) is sodium;bis(dodecane);ethanol;hydride;sulfuric acid.
What is the SMILES notation for sodium;bis(dodecane);ethanol;hydride;sulfuric acid?
The canonical SMILES for sodium;bis(dodecane);ethanol;hydride;sulfuric acid is CCCCCCCCCCCC.CCCCCCCCCCCC.CCO.O=S(=O)(O)O.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;bis(dodecane);ethanol;hydride;sulfuric acid?
The InChIKey is WXGURMZDJXZJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H26.C2H6O.Na.2H2O4S.H/c2*1-3-5-7-9-11-12-10-8-6-4-2;1-2-3;;2*1-5(2,3)4;/h2*3-12H2,1-2H3;3H,2H2,1H3;;2*(H2,1,2,3,4);/q;;;+1;;;-1.
What are the key properties of sodium;bis(dodecane);ethanol;hydride;sulfuric acid?
sodium;bis(dodecane);ethanol;hydride;sulfuric acid has a molecular weight of 606.91 g/mol, XLogP of 5.66, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(dodecane);ethanol;hydride;sulfuric acid is sourced from PubChem (CID 175019584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).