bis(2-methylpropyl)alumanylium;dichloromethane;hydride

C9H21AlCl2 — CID 86656508

IUPACbis(2-methylpropyl)alumanylium;dichloromethane;hydride
SMILESCC(C)C[Al+]CC(C)C.ClCCl.[H-]
InChIInChI=1S/2C4H9.CH2Cl2.Al.H/c2*1-4(2)3;2-1-3;;/h2*4H,1H2,2-3H3;1H2;;/q;;;+1;-1
InChIKeyKEAMKGGTGACVAJ-UHFFFAOYSA-N
MW227.15 g/mol
LogP4.37
Rot. Bonds4

About bis(2-methylpropyl)alumanylium;dichloromethane;hydride

bis(2-methylpropyl)alumanylium;dichloromethane;hydride (PubChem CID 86656508) has the molecular formula C9H21AlCl2 and a molecular weight of 227.15 g/mol. Its IUPAC name is bis(2-methylpropyl)alumanylium;dichloromethane;hydride.

Molecular Properties

Compound Namebis(2-methylpropyl)alumanylium;dichloromethane;hydride
PubChem CID86656508
Molecular FormulaC9H21AlCl2
Molecular Weight227.15 g/mol
Exact Mass226.08
IUPAC Namebis(2-methylpropyl)alumanylium;dichloromethane;hydride
SMILESCC(C)C[Al+]CC(C)C.ClCCl.[H-]
InChIInChI=1S/2C4H9.CH2Cl2.Al.H/c2*1-4(2)3;2-1-3;;/h2*4H,1H2,2-3H3;1H2;;/q;;;+1;-1
InChIKeyKEAMKGGTGACVAJ-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.15
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumanylium;dichloromethane;hydride?
The IUPAC name of bis(2-methylpropyl)alumanylium;dichloromethane;hydride (CID 86656508) is bis(2-methylpropyl)alumanylium;dichloromethane;hydride.
What is the SMILES notation for bis(2-methylpropyl)alumanylium;dichloromethane;hydride?
The canonical SMILES for bis(2-methylpropyl)alumanylium;dichloromethane;hydride is CC(C)C[Al+]CC(C)C.ClCCl.[H-].
What is the InChIKey of bis(2-methylpropyl)alumanylium;dichloromethane;hydride?
The InChIKey is KEAMKGGTGACVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.CH2Cl2.Al.H/c2*1-4(2)3;2-1-3;;/h2*4H,1H2,2-3H3;1H2;;/q;;;+1;-1.
What are the key properties of bis(2-methylpropyl)alumanylium;dichloromethane;hydride?
bis(2-methylpropyl)alumanylium;dichloromethane;hydride has a molecular weight of 227.15 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumanylium;dichloromethane;hydride is sourced from PubChem (CID 86656508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).