sodium;hydride;pentan-1-ol;sulfuric acid

C5H15NaO5S — CID 175097757

IUPACsodium;hydride;pentan-1-ol;sulfuric acid
SMILESCCCCCO.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C5H12O.Na.H2O4S.H/c1-2-3-4-5-6;;1-5(2,3)4;/h6H,2-5H2,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyLOFSHTCLFUIGPA-UHFFFAOYSA-N
MW210.23 g/mol
LogP-2.37
Rot. Bonds3

About sodium;hydride;pentan-1-ol;sulfuric acid

sodium;hydride;pentan-1-ol;sulfuric acid (PubChem CID 175097757) has the molecular formula C5H15NaO5S and a molecular weight of 210.23 g/mol. Its IUPAC name is sodium;hydride;pentan-1-ol;sulfuric acid.

Molecular Properties

Compound Namesodium;hydride;pentan-1-ol;sulfuric acid
PubChem CID175097757
Molecular FormulaC5H15NaO5S
Molecular Weight210.23 g/mol
Exact Mass210.05
IUPAC Namesodium;hydride;pentan-1-ol;sulfuric acid
SMILESCCCCCO.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C5H12O.Na.H2O4S.H/c1-2-3-4-5-6;;1-5(2,3)4;/h6H,2-5H2,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyLOFSHTCLFUIGPA-UHFFFAOYSA-N
XLogP-2.37
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-2.37
H-Bond Donors ≤ 53
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 sodium;hydride;pentan-1-ol;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;dodecan-1-ol;hydride;sulfuric acid;hydrate
CID 173456985
pentan-1-ol;sulfuric acid
CID 87844098
magnesium;dodecan-1-ol;hydride;sulfuric acid
CID 174836259
sulfuric acid;tetradecan-1-ol
CID 87699970
sulfuric acid;tetradecane;tetradecan-1-ol;hydrate
CID 174900097
octan-1-ol;sulfuric acid;zinc
CID 174737842
dodecan-1-ol;sulfane;sulfuric acid
CID 174348674
sodium;bis(dodecane);ethanol;hydride;sulfuric acid
CID 175019584
sodium;hydride;sulfuric acid;undecane
CID 172996516
magnesium;disodium;dodecane;hydride;sulfuric acid
CID 175302264
sodium;sulfuric acid;tetradecane
CID 170922474
sodium;dodecan-1-ol;hydride
CID 173039865

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;pentan-1-ol;sulfuric acid?
The IUPAC name of sodium;hydride;pentan-1-ol;sulfuric acid (CID 175097757) is sodium;hydride;pentan-1-ol;sulfuric acid.
What is the SMILES notation for sodium;hydride;pentan-1-ol;sulfuric acid?
The canonical SMILES for sodium;hydride;pentan-1-ol;sulfuric acid is CCCCCO.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;pentan-1-ol;sulfuric acid?
The InChIKey is LOFSHTCLFUIGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.Na.H2O4S.H/c1-2-3-4-5-6;;1-5(2,3)4;/h6H,2-5H2,1H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;hydride;pentan-1-ol;sulfuric acid?
sodium;hydride;pentan-1-ol;sulfuric acid has a molecular weight of 210.23 g/mol, XLogP of -2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;pentan-1-ol;sulfuric acid is sourced from PubChem (CID 175097757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).