trilithium;icosane

C20H39Li3 — CID 24942327

IUPACtrilithium;icosane
SMILES[CH2-]CCC[CH-]CCCCCCCCC[CH-]CCCCC.[Li+].[Li+].[Li+]
InChIInChI=1S/C20H39.3Li/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;/h9,12H,1,3-8,10-11,13-20H2,2H3;;;/q-3;3*+1
InChIKeyRXNLMUPCSWNRTD-UHFFFAOYSA-N
MW300.35 g/mol
LogP-1.50
Rot. Bonds17

About trilithium;icosane

trilithium;icosane (PubChem CID 24942327) has the molecular formula C20H39Li3 and a molecular weight of 300.35 g/mol. Its IUPAC name is trilithium;icosane.

Molecular Properties

Compound Nametrilithium;icosane
PubChem CID24942327
Molecular FormulaC20H39Li3
Molecular Weight300.35 g/mol
Exact Mass300.35
IUPAC Nametrilithium;icosane
SMILES[CH2-]CCC[CH-]CCCCCCCCC[CH-]CCCCC.[Li+].[Li+].[Li+]
InChIInChI=1S/C20H39.3Li/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;/h9,12H,1,3-8,10-11,13-20H2,2H3;;;/q-3;3*+1
InChIKeyRXNLMUPCSWNRTD-UHFFFAOYSA-N
XLogP-1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium tridecane
CID 11321439
lithium heptadecane
CID 12950399
lithium;copper(1+);bis(decane)
CID 10937095
heptadecane
CID 156905849
dodecane;zinc
CID 173211803
dilithium;carbanide;hexane
CID 174334686
cerium;dodecane
CID 154114371
zinc heptane
CID 4204916
dodecane;zirconium
CID 148549415
bis(octane);zinc
CID 175041964
manganese;tetradecane
CID 173260191
tetrakis(heptane);zirconium(4+)
CID 154501032

Frequently Asked Questions

What is the IUPAC name of trilithium;icosane?
The IUPAC name of trilithium;icosane (CID 24942327) is trilithium;icosane.
What is the SMILES notation for trilithium;icosane?
The canonical SMILES for trilithium;icosane is [CH2-]CCC[CH-]CCCCCCCCC[CH-]CCCCC.[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;icosane?
The InChIKey is RXNLMUPCSWNRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39.3Li/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;/h9,12H,1,3-8,10-11,13-20H2,2H3;;;/q-3;3*+1.
What are the key properties of trilithium;icosane?
trilithium;icosane has a molecular weight of 300.35 g/mol, XLogP of -1.50, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;icosane is sourced from PubChem (CID 24942327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).