lithium;hydride;1-oxooctadecane-1-sulfonic acid

C18H37LiO4S — CID 174605626

IUPAClithium;hydride;1-oxooctadecane-1-sulfonic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)S(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C18H36O4S.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23(20,21)22;;/h2-17H2,1H3,(H,20,21,22);;/q;+1;-1
InChIKeyYASIZOAFQWBXRG-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.78
Rot. Bonds16

About lithium;hydride;1-oxooctadecane-1-sulfonic acid

lithium;hydride;1-oxooctadecane-1-sulfonic acid (PubChem CID 174605626) has the molecular formula C18H37LiO4S and a molecular weight of 356.50 g/mol. Its IUPAC name is lithium;hydride;1-oxooctadecane-1-sulfonic acid.

Molecular Properties

Compound Namelithium;hydride;1-oxooctadecane-1-sulfonic acid
PubChem CID174605626
Molecular FormulaC18H37LiO4S
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Namelithium;hydride;1-oxooctadecane-1-sulfonic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)S(=O)(=O)O.[H-].[Li+]
InChIInChI=1S/C18H36O4S.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23(20,21)22;;/h2-17H2,1H3,(H,20,21,22);;/q;+1;-1
InChIKeyYASIZOAFQWBXRG-UHFFFAOYSA-N
XLogP2.78
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;1-oxooctadecane-1-sulfonic acid?
The IUPAC name of lithium;hydride;1-oxooctadecane-1-sulfonic acid (CID 174605626) is lithium;hydride;1-oxooctadecane-1-sulfonic acid.
What is the SMILES notation for lithium;hydride;1-oxooctadecane-1-sulfonic acid?
The canonical SMILES for lithium;hydride;1-oxooctadecane-1-sulfonic acid is CCCCCCCCCCCCCCCCCC(=O)S(=O)(=O)O.[H-].[Li+].
What is the InChIKey of lithium;hydride;1-oxooctadecane-1-sulfonic acid?
The InChIKey is YASIZOAFQWBXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O4S.Li.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23(20,21)22;;/h2-17H2,1H3,(H,20,21,22);;/q;+1;-1.
What are the key properties of lithium;hydride;1-oxooctadecane-1-sulfonic acid?
lithium;hydride;1-oxooctadecane-1-sulfonic acid has a molecular weight of 356.50 g/mol, XLogP of 2.78, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1-oxooctadecane-1-sulfonic acid is sourced from PubChem (CID 174605626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).