lithium butyl-bis(2-methylpropyl)alumane

C12H27AlLi+ — CID 16714974

IUPAClithium butyl-bis(2-methylpropyl)alumane
SMILESCCCC[Al](CC(C)C)CC(C)C.[Li+]
InChIInChI=1S/3C4H9.Al.Li/c2*1-4(2)3;1-3-4-2;;/h2*4H,1H2,2-3H3;1,3-4H2,2H3;;/q;;;;+1
InChIKeyKQAJGTZUYAUPGK-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.60
Rot. Bonds7

About lithium butyl-bis(2-methylpropyl)alumane

lithium butyl-bis(2-methylpropyl)alumane (PubChem CID 16714974) has the molecular formula C12H27AlLi+ and a molecular weight of 205.27 g/mol. Its IUPAC name is lithium butyl-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Namelithium butyl-bis(2-methylpropyl)alumane
PubChem CID16714974
Molecular FormulaC12H27AlLi+
Molecular Weight205.27 g/mol
Exact Mass205.21
IUPAC Namelithium butyl-bis(2-methylpropyl)alumane
SMILESCCCC[Al](CC(C)C)CC(C)C.[Li+]
InChIInChI=1S/3C4H9.Al.Li/c2*1-4(2)3;1-3-4-2;;/h2*4H,1H2,2-3H3;1,3-4H2,2H3;;/q;;;;+1
InChIKeyKQAJGTZUYAUPGK-UHFFFAOYSA-N
XLogP1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze lithium butyl-bis(2-methylpropyl)alumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dihexylalumanylium;hexyl-bis(2-methylpropyl)alumane;hydride
CID 21258677
8-methylnonyl-bis(2-methylpropyl)alumane
CID 173009634
tributylalumane;triethylalumane;trihexylalumane;tri(propan-2-yl)alumane;tripropylalumane;tris(2-methylpropyl)alumane
CID 174528139
chloro-bis(2-methylpropyl)alumane;hexane
CID 174808933
heptane;trihexylalumane
CID 22011139
hex-1-ynyl-bis(2-methylpropyl)alumane
CID 86185013
cobalt(2+);bis(2-ethylhexanoate);tris(2-methylpropyl)alumane
CID 173003434
magnesium;butane;carbon dioxide;ethane;tris(2-methylpropyl)alumane
CID 88674742
1-butoxypropoxy-bis(2-methylpropyl)alumane
CID 139905186
lithium;hydride;2-methylheptane
CID 173040195
2,4-dimethylpentane;pentane
CID 161023213
tris(7-methyloctyl)alumane
CID 156702571

Frequently Asked Questions

What is the IUPAC name of lithium butyl-bis(2-methylpropyl)alumane?
The IUPAC name of lithium butyl-bis(2-methylpropyl)alumane (CID 16714974) is lithium butyl-bis(2-methylpropyl)alumane.
What is the SMILES notation for lithium butyl-bis(2-methylpropyl)alumane?
The canonical SMILES for lithium butyl-bis(2-methylpropyl)alumane is CCCC[Al](CC(C)C)CC(C)C.[Li+].
What is the InChIKey of lithium butyl-bis(2-methylpropyl)alumane?
The InChIKey is KQAJGTZUYAUPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.Al.Li/c2*1-4(2)3;1-3-4-2;;/h2*4H,1H2,2-3H3;1,3-4H2,2H3;;/q;;;;+1.
What are the key properties of lithium butyl-bis(2-methylpropyl)alumane?
lithium butyl-bis(2-methylpropyl)alumane has a molecular weight of 205.27 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium butyl-bis(2-methylpropyl)alumane is sourced from PubChem (CID 16714974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).