lithium;ethyne;propylbenzene

C11H13Li — CID 174833014

IUPAClithium;ethyne;propylbenzene
SMILESCCCc1ccccc1.[C-]#C.[Li+]
InChIInChI=1S/C9H12.C2H.Li/c1-2-6-9-7-4-3-5-8-9;1-2;/h3-5,7-8H,2,6H2,1H3;1H;/q;-1;+1
InChIKeyKZQZVLGQPKJECJ-UHFFFAOYSA-N
MW152.17 g/mol
LogP-0.15
Rot. Bonds2

About lithium;ethyne;propylbenzene

lithium;ethyne;propylbenzene (PubChem CID 174833014) has the molecular formula C11H13Li and a molecular weight of 152.17 g/mol. Its IUPAC name is lithium;ethyne;propylbenzene.

Molecular Properties

Compound Namelithium;ethyne;propylbenzene
PubChem CID174833014
Molecular FormulaC11H13Li
Molecular Weight152.17 g/mol
Exact Mass152.12
IUPAC Namelithium;ethyne;propylbenzene
SMILESCCCc1ccccc1.[C-]#C.[Li+]
InChIInChI=1S/C9H12.C2H.Li/c1-2-6-9-7-4-3-5-8-9;1-2;/h3-5,7-8H,2,6H2,1H3;1H;/q;-1;+1
InChIKeyKZQZVLGQPKJECJ-UHFFFAOYSA-N
XLogP-0.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
potassium;hydride;propylbenzene
CID 174749122
butylbenzene;propylbenzene
CID 142022125
carbanide;ethane;lanthanum;propane;propylbenzene
CID 161064679
ethane;ethylbenzene;propylbenzene
CID 153343160
benzene;propylbenzene;toluene
CID 142060228
ethane;ethylbenzene;propylbenzene
CID 144852867
1-bromopropane;propylbenzene
CID 158382353
phenol;propylbenzene
CID 18469730
deuteriomethane;fluoromethane;propylbenzene
CID 91154303
isocyanic acid;propylbenzene
CID 87313673

Frequently Asked Questions

What is the IUPAC name of lithium;ethyne;propylbenzene?
The IUPAC name of lithium;ethyne;propylbenzene (CID 174833014) is lithium;ethyne;propylbenzene.
What is the SMILES notation for lithium;ethyne;propylbenzene?
The canonical SMILES for lithium;ethyne;propylbenzene is CCCc1ccccc1.[C-]#C.[Li+].
What is the InChIKey of lithium;ethyne;propylbenzene?
The InChIKey is KZQZVLGQPKJECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H.Li/c1-2-6-9-7-4-3-5-8-9;1-2;/h3-5,7-8H,2,6H2,1H3;1H;/q;-1;+1.
What are the key properties of lithium;ethyne;propylbenzene?
lithium;ethyne;propylbenzene has a molecular weight of 152.17 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethyne;propylbenzene is sourced from PubChem (CID 174833014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).