sodium;hydride;sulfuric acid;undecane

C11H27NaO4S — CID 172996516

IUPACsodium;hydride;sulfuric acid;undecane
SMILESCCCCCCCCCCC.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C11H24.Na.H2O4S.H/c1-3-5-7-9-11-10-8-6-4-2;;1-5(2,3)4;/h3-11H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyATEBEDMSEOUPDP-UHFFFAOYSA-N
MW278.39 g/mol
LogP1.00
Rot. Bonds8

About sodium;hydride;sulfuric acid;undecane

sodium;hydride;sulfuric acid;undecane (PubChem CID 172996516) has the molecular formula C11H27NaO4S and a molecular weight of 278.39 g/mol. Its IUPAC name is sodium;hydride;sulfuric acid;undecane.

Molecular Properties

Compound Namesodium;hydride;sulfuric acid;undecane
PubChem CID172996516
Molecular FormulaC11H27NaO4S
Molecular Weight278.39 g/mol
Exact Mass278.15
IUPAC Namesodium;hydride;sulfuric acid;undecane
SMILESCCCCCCCCCCC.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C11H24.Na.H2O4S.H/c1-3-5-7-9-11-10-8-6-4-2;;1-5(2,3)4;/h3-11H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyATEBEDMSEOUPDP-UHFFFAOYSA-N
XLogP1.00
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;sulfuric acid;undecane?
The IUPAC name of sodium;hydride;sulfuric acid;undecane (CID 172996516) is sodium;hydride;sulfuric acid;undecane.
What is the SMILES notation for sodium;hydride;sulfuric acid;undecane?
The canonical SMILES for sodium;hydride;sulfuric acid;undecane is CCCCCCCCCCC.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;sulfuric acid;undecane?
The InChIKey is ATEBEDMSEOUPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.Na.H2O4S.H/c1-3-5-7-9-11-10-8-6-4-2;;1-5(2,3)4;/h3-11H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;hydride;sulfuric acid;undecane?
sodium;hydride;sulfuric acid;undecane has a molecular weight of 278.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;sulfuric acid;undecane is sourced from PubChem (CID 172996516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).