lithium;tert-butylbenzene;hydride;sulfuric acid

C10H17LiO4S — CID 173469295

IUPAClithium;tert-butylbenzene;hydride;sulfuric acid
SMILESCC(C)(C)c1ccccc1.O=S(=O)(O)O.[H-].[Li+]
InChIInChI=1S/C10H14.Li.H2O4S.H/c1-10(2,3)9-7-5-4-6-8-9;;1-5(2,3)4;/h4-8H,1-3H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyXOBNCWCFMXWUQR-UHFFFAOYSA-N
MW240.25 g/mol
LogP-0.55
Rot. Bonds

About lithium;tert-butylbenzene;hydride;sulfuric acid

lithium;tert-butylbenzene;hydride;sulfuric acid (PubChem CID 173469295) has the molecular formula C10H17LiO4S and a molecular weight of 240.25 g/mol. Its IUPAC name is lithium;tert-butylbenzene;hydride;sulfuric acid.

Molecular Properties

Compound Namelithium;tert-butylbenzene;hydride;sulfuric acid
PubChem CID173469295
Molecular FormulaC10H17LiO4S
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namelithium;tert-butylbenzene;hydride;sulfuric acid
SMILESCC(C)(C)c1ccccc1.O=S(=O)(O)O.[H-].[Li+]
InChIInChI=1S/C10H14.Li.H2O4S.H/c1-10(2,3)9-7-5-4-6-8-9;;1-5(2,3)4;/h4-8H,1-3H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyXOBNCWCFMXWUQR-UHFFFAOYSA-N
XLogP-0.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;tert-butylbenzene;hydride;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

tert-butylbenzene;sulfuric acid;hydrochloride
CID 175109933
1-phenylethane-1,1-disulfonic acid
CID 141098795
CID 171375456
CID 171375456
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011
tert-butylbenzene;chloromethane;ethane
CID 91149652
tert-butylbenzene;molecular nitrogen
CID 146464751
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
sodium;hydride;3-oxo-2-phenylbutane-2-sulfonic acid
CID 173415905
1,1-difluoroethylbenzene
CID 10942535
tert-butylbenzene;methanimine
CID 174908280
1-(dimethylamino)-1-phenylethanesulfonic acid
CID 174528406
hydrazine;sulfuric acid;trifluoromethylbenzene
CID 174887305

Frequently Asked Questions

What is the IUPAC name of lithium;tert-butylbenzene;hydride;sulfuric acid?
The IUPAC name of lithium;tert-butylbenzene;hydride;sulfuric acid (CID 173469295) is lithium;tert-butylbenzene;hydride;sulfuric acid.
What is the SMILES notation for lithium;tert-butylbenzene;hydride;sulfuric acid?
The canonical SMILES for lithium;tert-butylbenzene;hydride;sulfuric acid is CC(C)(C)c1ccccc1.O=S(=O)(O)O.[H-].[Li+].
What is the InChIKey of lithium;tert-butylbenzene;hydride;sulfuric acid?
The InChIKey is XOBNCWCFMXWUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.Li.H2O4S.H/c1-10(2,3)9-7-5-4-6-8-9;;1-5(2,3)4;/h4-8H,1-3H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of lithium;tert-butylbenzene;hydride;sulfuric acid?
lithium;tert-butylbenzene;hydride;sulfuric acid has a molecular weight of 240.25 g/mol, XLogP of -0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butylbenzene;hydride;sulfuric acid is sourced from PubChem (CID 173469295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).