bis(3-methylbutyl)alumanylium;methanolate

C11H25AlO — CID 19766089

IUPACbis(3-methylbutyl)alumanylium;methanolate
SMILESCC(C)CC[Al+]CCC(C)C.C[O-]
InChIInChI=1S/2C5H11.CH3O.Al/c2*1-4-5(2)3;1-2;/h2*5H,1,4H2,2-3H3;1H3;/q;;-1;+1
InChIKeyMDIIGLPGVJSUKH-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.60
Rot. Bonds6

About bis(3-methylbutyl)alumanylium;methanolate

bis(3-methylbutyl)alumanylium;methanolate (PubChem CID 19766089) has the molecular formula C11H25AlO and a molecular weight of 200.30 g/mol. Its IUPAC name is bis(3-methylbutyl)alumanylium;methanolate.

Molecular Properties

Compound Namebis(3-methylbutyl)alumanylium;methanolate
PubChem CID19766089
Molecular FormulaC11H25AlO
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Namebis(3-methylbutyl)alumanylium;methanolate
SMILESCC(C)CC[Al+]CCC(C)C.C[O-]
InChIInChI=1S/2C5H11.CH3O.Al/c2*1-4-5(2)3;1-2;/h2*5H,1,4H2,2-3H3;1H3;/q;;-1;+1
InChIKeyMDIIGLPGVJSUKH-UHFFFAOYSA-N
XLogP2.60
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(3-methylbutyl)alumanylium;methanolate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbutyl)alumanylium;methanolate?
The IUPAC name of bis(3-methylbutyl)alumanylium;methanolate (CID 19766089) is bis(3-methylbutyl)alumanylium;methanolate.
What is the SMILES notation for bis(3-methylbutyl)alumanylium;methanolate?
The canonical SMILES for bis(3-methylbutyl)alumanylium;methanolate is CC(C)CC[Al+]CCC(C)C.C[O-].
What is the InChIKey of bis(3-methylbutyl)alumanylium;methanolate?
The InChIKey is MDIIGLPGVJSUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11.CH3O.Al/c2*1-4-5(2)3;1-2;/h2*5H,1,4H2,2-3H3;1H3;/q;;-1;+1.
What are the key properties of bis(3-methylbutyl)alumanylium;methanolate?
bis(3-methylbutyl)alumanylium;methanolate has a molecular weight of 200.30 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbutyl)alumanylium;methanolate is sourced from PubChem (CID 19766089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).