trilithium;hydride;icosane

C20H45Li3 — CID 173415382

IUPACtrilithium;hydride;icosane
SMILESCCCCCCCCCCCCCCCCCCCC.[H-].[H-].[H-].[Li+].[Li+].[Li+]
InChIInChI=1S/C20H42.3Li.3H/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;;;;/h3-20H2,1-2H3;;;;;;/q;3*+1;3*-1
InChIKeyRQALUXSFYJJYEQ-UHFFFAOYSA-N
MW306.40 g/mol
LogP-0.60
Rot. Bonds17

About trilithium;hydride;icosane

trilithium;hydride;icosane (PubChem CID 173415382) has the molecular formula C20H45Li3 and a molecular weight of 306.40 g/mol. Its IUPAC name is trilithium;hydride;icosane.

Molecular Properties

Compound Nametrilithium;hydride;icosane
PubChem CID173415382
Molecular FormulaC20H45Li3
Molecular Weight306.40 g/mol
Exact Mass306.40
IUPAC Nametrilithium;hydride;icosane
SMILESCCCCCCCCCCCCCCCCCCCC.[H-].[H-].[H-].[Li+].[Li+].[Li+]
InChIInChI=1S/C20H42.3Li.3H/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;;;;/h3-20H2,1-2H3;;;;;;/q;3*+1;3*-1
InChIKeyRQALUXSFYJJYEQ-UHFFFAOYSA-N
XLogP-0.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium;dodecane;hydride
CID 173115706
tetralithium;hexane;hydride
CID 174784043
sodium;hydride;tridecane
CID 172995973
sodium;octakis(decane);hydride
CID 173398930
calcium;hydride;octane
CID 173403164
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of trilithium;hydride;icosane?
The IUPAC name of trilithium;hydride;icosane (CID 173415382) is trilithium;hydride;icosane.
What is the SMILES notation for trilithium;hydride;icosane?
The canonical SMILES for trilithium;hydride;icosane is CCCCCCCCCCCCCCCCCCCC.[H-].[H-].[H-].[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;hydride;icosane?
The InChIKey is RQALUXSFYJJYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42.3Li.3H/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2;;;;;;/h3-20H2,1-2H3;;;;;;/q;3*+1;3*-1.
What are the key properties of trilithium;hydride;icosane?
trilithium;hydride;icosane has a molecular weight of 306.40 g/mol, XLogP of -0.60, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;hydride;icosane is sourced from PubChem (CID 173415382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).