lithium;dodecane;hydride

C12H27Li — CID 173115706

IUPAClithium;dodecane;hydride
SMILESCCCCCCCCCCCC.[H-].[Li+]
InChIInChI=1S/C12H26.Li.H/c1-3-5-7-9-11-12-10-8-6-4-2;;/h3-12H2,1-2H3;;/q;+1;-1
InChIKeyGHHFVCYSWXQMCK-UHFFFAOYSA-N
MW178.29 g/mol
LogP2.04
Rot. Bonds9

About lithium;dodecane;hydride

lithium;dodecane;hydride (PubChem CID 173115706) has the molecular formula C12H27Li and a molecular weight of 178.29 g/mol. Its IUPAC name is lithium;dodecane;hydride.

Molecular Properties

Compound Namelithium;dodecane;hydride
PubChem CID173115706
Molecular FormulaC12H27Li
Molecular Weight178.29 g/mol
Exact Mass178.23
IUPAC Namelithium;dodecane;hydride
SMILESCCCCCCCCCCCC.[H-].[Li+]
InChIInChI=1S/C12H26.Li.H/c1-3-5-7-9-11-12-10-8-6-4-2;;/h3-12H2,1-2H3;;/q;+1;-1
InChIKeyGHHFVCYSWXQMCK-UHFFFAOYSA-N
XLogP2.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.29
LogP ≤ 52.04
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

trilithium;hydride;icosane
CID 173415382
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
CID 161246447
CID 161246447
dohexacontane
CID 522644
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of lithium;dodecane;hydride?
The IUPAC name of lithium;dodecane;hydride (CID 173115706) is lithium;dodecane;hydride.
What is the SMILES notation for lithium;dodecane;hydride?
The canonical SMILES for lithium;dodecane;hydride is CCCCCCCCCCCC.[H-].[Li+].
What is the InChIKey of lithium;dodecane;hydride?
The InChIKey is GHHFVCYSWXQMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.Li.H/c1-3-5-7-9-11-12-10-8-6-4-2;;/h3-12H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;dodecane;hydride?
lithium;dodecane;hydride has a molecular weight of 178.29 g/mol, XLogP of 2.04, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dodecane;hydride is sourced from PubChem (CID 173115706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).