lithium;benzene;butane;styrene

C18H23Li — CID 174564068

IUPAClithium;benzene;butane;styrene
SMILESC=Cc1ccccc1.[CH2-]CCC.[Li+].c1ccccc1
InChIInChI=1S/C8H8.C6H6.C4H9.Li/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-3-4-2;/h2-7H,1H2;1-6H;1,3-4H2,2H3;/q;;-1;+1
InChIKeyZSIRMGFGYJBPOQ-UHFFFAOYSA-N
MW246.32 g/mol
LogP2.64
Rot. Bonds2

About lithium;benzene;butane;styrene

lithium;benzene;butane;styrene (PubChem CID 174564068) has the molecular formula C18H23Li and a molecular weight of 246.32 g/mol. Its IUPAC name is lithium;benzene;butane;styrene.

Molecular Properties

Compound Namelithium;benzene;butane;styrene
PubChem CID174564068
Molecular FormulaC18H23Li
Molecular Weight246.32 g/mol
Exact Mass246.20
IUPAC Namelithium;benzene;butane;styrene
SMILESC=Cc1ccccc1.[CH2-]CCC.[Li+].c1ccccc1
InChIInChI=1S/C8H8.C6H6.C4H9.Li/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-3-4-2;/h2-7H,1H2;1-6H;1,3-4H2,2H3;/q;;-1;+1
InChIKeyZSIRMGFGYJBPOQ-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium;benzene;butane;styrene?
The IUPAC name of lithium;benzene;butane;styrene (CID 174564068) is lithium;benzene;butane;styrene.
What is the SMILES notation for lithium;benzene;butane;styrene?
The canonical SMILES for lithium;benzene;butane;styrene is C=Cc1ccccc1.[CH2-]CCC.[Li+].c1ccccc1.
What is the InChIKey of lithium;benzene;butane;styrene?
The InChIKey is ZSIRMGFGYJBPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H6.C4H9.Li/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;1-3-4-2;/h2-7H,1H2;1-6H;1,3-4H2,2H3;/q;;-1;+1.
What are the key properties of lithium;benzene;butane;styrene?
lithium;benzene;butane;styrene has a molecular weight of 246.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzene;butane;styrene is sourced from PubChem (CID 174564068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).