potassium;hydride;1-octadecoxyoctadecane;sulfuric acid

C36H77KO5S — CID 173372797

IUPACpotassium;hydride;1-octadecoxyoctadecane;sulfuric acid
SMILESCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.O=S(=O)(O)O.[H-].[K+]
InChIInChI=1S/C36H74O.K.H2O4S.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-36H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyKPYLLCPXSBLTRY-UHFFFAOYSA-N
MW661.17 g/mol
LogP9.99
Rot. Bonds34

About potassium;hydride;1-octadecoxyoctadecane;sulfuric acid

potassium;hydride;1-octadecoxyoctadecane;sulfuric acid (PubChem CID 173372797) has the molecular formula C36H77KO5S and a molecular weight of 661.17 g/mol. Its IUPAC name is potassium;hydride;1-octadecoxyoctadecane;sulfuric acid.

Molecular Properties

Compound Namepotassium;hydride;1-octadecoxyoctadecane;sulfuric acid
PubChem CID173372797
Molecular FormulaC36H77KO5S
Molecular Weight661.17 g/mol
Exact Mass660.51
IUPAC Namepotassium;hydride;1-octadecoxyoctadecane;sulfuric acid
SMILESCCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.O=S(=O)(O)O.[H-].[K+]
InChIInChI=1S/C36H74O.K.H2O4S.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-36H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyKPYLLCPXSBLTRY-UHFFFAOYSA-N
XLogP9.99
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds34
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.17
LogP ≤ 59.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium;hydride;1-octadecoxyoctadecane;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;1-tetradecoxytetradecane
CID 173005905
azane;sulfuric acid;1-undecoxyundecane
CID 174702560
1-butoxyoctane;sulfuric acid;zinc
CID 175286221
sodium;ethene;1-hexadecoxyhexadecane;hydride;sulfuric acid;hydrate
CID 174656108
disodium;1-dodecoxydodecane;sulfuric acid;sulfate
CID 173313196
2-hexoxyethanol;sulfuric acid
CID 87749798
sodium;azane;dodecane;1-dodecoxydodecane;sulfuric acid
CID 173144318
potassium;hydride;1-nonoxynonane;phosphoric acid
CID 173401675
2-(2-octadecoxyethoxy)ethyl hydrogen sulfate
CID 100956617
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 14151438
2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21351862
3-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 59638865

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;1-octadecoxyoctadecane;sulfuric acid?
The IUPAC name of potassium;hydride;1-octadecoxyoctadecane;sulfuric acid (CID 173372797) is potassium;hydride;1-octadecoxyoctadecane;sulfuric acid.
What is the SMILES notation for potassium;hydride;1-octadecoxyoctadecane;sulfuric acid?
The canonical SMILES for potassium;hydride;1-octadecoxyoctadecane;sulfuric acid is CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC.O=S(=O)(O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;1-octadecoxyoctadecane;sulfuric acid?
The InChIKey is KPYLLCPXSBLTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74O.K.H2O4S.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-36H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of potassium;hydride;1-octadecoxyoctadecane;sulfuric acid?
potassium;hydride;1-octadecoxyoctadecane;sulfuric acid has a molecular weight of 661.17 g/mol, XLogP of 9.99, 34 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;1-octadecoxyoctadecane;sulfuric acid is sourced from PubChem (CID 173372797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).