lithium 5-tert-butylquinolin-1-ium-8-olate

C13H15LiNO+ — CID 140800976

IUPAClithium 5-tert-butylquinolin-1-ium-8-olate
SMILESCC(C)(C)c1ccc([O-])c2[nH+]cccc12.[Li+]
InChIInChI=1S/C13H15NO.Li/c1-13(2,3)10-6-7-11(15)12-9(10)5-4-8-14-12;/h4-8,15H,1-3H3;/q;+1
InChIKeyVFHFWRWREJKIQK-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.97
Rot. Bonds

About lithium 5-tert-butylquinolin-1-ium-8-olate

lithium 5-tert-butylquinolin-1-ium-8-olate (PubChem CID 140800976) has the molecular formula C13H15LiNO+ and a molecular weight of 208.21 g/mol. Its IUPAC name is lithium 5-tert-butylquinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium 5-tert-butylquinolin-1-ium-8-olate
PubChem CID140800976
Molecular FormulaC13H15LiNO+
Molecular Weight208.21 g/mol
Exact Mass208.13
IUPAC Namelithium 5-tert-butylquinolin-1-ium-8-olate
SMILESCC(C)(C)c1ccc([O-])c2[nH+]cccc12.[Li+]
InChIInChI=1S/C13H15NO.Li/c1-13(2,3)10-6-7-11(15)12-9(10)5-4-8-14-12;/h4-8,15H,1-3H3;/q;+1
InChIKeyVFHFWRWREJKIQK-UHFFFAOYSA-N
XLogP-0.97
TPSA37.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 5-tert-butylquinolin-1-ium-8-olate?
The IUPAC name of lithium 5-tert-butylquinolin-1-ium-8-olate (CID 140800976) is lithium 5-tert-butylquinolin-1-ium-8-olate.
What is the SMILES notation for lithium 5-tert-butylquinolin-1-ium-8-olate?
The canonical SMILES for lithium 5-tert-butylquinolin-1-ium-8-olate is CC(C)(C)c1ccc([O-])c2[nH+]cccc12.[Li+].
What is the InChIKey of lithium 5-tert-butylquinolin-1-ium-8-olate?
The InChIKey is VFHFWRWREJKIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.Li/c1-13(2,3)10-6-7-11(15)12-9(10)5-4-8-14-12;/h4-8,15H,1-3H3;/q;+1.
What are the key properties of lithium 5-tert-butylquinolin-1-ium-8-olate?
lithium 5-tert-butylquinolin-1-ium-8-olate has a molecular weight of 208.21 g/mol, XLogP of -0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-tert-butylquinolin-1-ium-8-olate is sourced from PubChem (CID 140800976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).