sodium;hydride;sulfuric acid;1-tetradecoxytetradecane

C28H61NaO5S — CID 173005905

IUPACsodium;hydride;sulfuric acid;1-tetradecoxytetradecane
SMILESCCCCCCCCCCCCCCOCCCCCCCCCCCCCC.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C28H58O.Na.H2O4S.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-28H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeySLXKYCFZKHLBJH-UHFFFAOYSA-N
MW532.85 g/mol
LogP6.87
Rot. Bonds26

About sodium;hydride;sulfuric acid;1-tetradecoxytetradecane

sodium;hydride;sulfuric acid;1-tetradecoxytetradecane (PubChem CID 173005905) has the molecular formula C28H61NaO5S and a molecular weight of 532.85 g/mol. Its IUPAC name is sodium;hydride;sulfuric acid;1-tetradecoxytetradecane.

Molecular Properties

Compound Namesodium;hydride;sulfuric acid;1-tetradecoxytetradecane
PubChem CID173005905
Molecular FormulaC28H61NaO5S
Molecular Weight532.85 g/mol
Exact Mass532.41
IUPAC Namesodium;hydride;sulfuric acid;1-tetradecoxytetradecane
SMILESCCCCCCCCCCCCCCOCCCCCCCCCCCCCC.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C28H58O.Na.H2O4S.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-28H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeySLXKYCFZKHLBJH-UHFFFAOYSA-N
XLogP6.87
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.85
LogP ≤ 56.87
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'}

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Related Compounds

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sodium;hydride;sulfuric acid;undecane
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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;sulfuric acid;1-tetradecoxytetradecane?
The IUPAC name of sodium;hydride;sulfuric acid;1-tetradecoxytetradecane (CID 173005905) is sodium;hydride;sulfuric acid;1-tetradecoxytetradecane.
What is the SMILES notation for sodium;hydride;sulfuric acid;1-tetradecoxytetradecane?
The canonical SMILES for sodium;hydride;sulfuric acid;1-tetradecoxytetradecane is CCCCCCCCCCCCCCOCCCCCCCCCCCCCC.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;sulfuric acid;1-tetradecoxytetradecane?
The InChIKey is SLXKYCFZKHLBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O.Na.H2O4S.H/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4;/h3-28H2,1-2H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;hydride;sulfuric acid;1-tetradecoxytetradecane?
sodium;hydride;sulfuric acid;1-tetradecoxytetradecane has a molecular weight of 532.85 g/mol, XLogP of 6.87, 26 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;sulfuric acid;1-tetradecoxytetradecane is sourced from PubChem (CID 173005905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).