lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride

C12H28AlLi — CID 23700876

IUPAClithium;tert-butyl-bis(2-methylpropyl)alumane;hydride
SMILESCC(C)C[Al](CC(C)C)C(C)(C)C.[H-].[Li+]
InChIInChI=1S/3C4H9.Al.Li.H/c3*1-4(2)3;;;/h1-3H3;2*4H,1H2,2-3H3;;;/q;;;;+1;-1
InChIKeyKLOLDIUIEMXQFR-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.71
Rot. Bonds4

About lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride

lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride (PubChem CID 23700876) has the molecular formula C12H28AlLi and a molecular weight of 206.28 g/mol. Its IUPAC name is lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride.

Molecular Properties

Compound Namelithium;tert-butyl-bis(2-methylpropyl)alumane;hydride
PubChem CID23700876
Molecular FormulaC12H28AlLi
Molecular Weight206.28 g/mol
Exact Mass206.22
IUPAC Namelithium;tert-butyl-bis(2-methylpropyl)alumane;hydride
SMILESCC(C)C[Al](CC(C)C)C(C)(C)C.[H-].[Li+]
InChIInChI=1S/3C4H9.Al.Li.H/c3*1-4(2)3;;;/h1-3H3;2*4H,1H2,2-3H3;;;/q;;;;+1;-1
InChIKeyKLOLDIUIEMXQFR-UHFFFAOYSA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride 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

tert-butyl-bis(2-methylpropyl)alumane
CID 16696757
alumane;dimethyl(2-methylpropyl)alumane
CID 175439137
CID 173374720
CID 173374720
chloro-bis(2-methylpropyl)alumane;hexane
CID 174808933
tert-butyl bis(2-methylpropyl)alumanylformate
CID 160614429
lithium butyl-bis(2-methylpropyl)alumane
CID 16714974
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
2-[bis(2-methylpropyl)alumanyl]-2-dipropylalumanyl-3-oxobutanal
CID 88799003
2,2,3,4,4,6-hexamethylheptane
CID 57491289
hex-1-ynyl-bis(2-methylpropyl)alumane
CID 86185013
bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate
CID 139725086
2-methyl-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide
CID 153298408

Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride?
The IUPAC name of lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride (CID 23700876) is lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride.
What is the SMILES notation for lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride?
The canonical SMILES for lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride is CC(C)C[Al](CC(C)C)C(C)(C)C.[H-].[Li+].
What is the InChIKey of lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride?
The InChIKey is KLOLDIUIEMXQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.Al.Li.H/c3*1-4(2)3;;;/h1-3H3;2*4H,1H2,2-3H3;;;/q;;;;+1;-1.
What are the key properties of lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride?
lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride has a molecular weight of 206.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butyl-bis(2-methylpropyl)alumane;hydride is sourced from PubChem (CID 23700876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).