butyl(chloromethyl)alumanylium chloride

C5H11AlCl2 — CID 175564527

IUPACbutyl(chloromethyl)alumanylium chloride
SMILESCCCC[Al+]CCl.[Cl-]
InChIInChI=1S/C4H9.CH2Cl.Al.ClH/c1-3-4-2;1-2;;/h1,3-4H2,2H3;1H2;;1H/q;;+1;/p-1
InChIKeyBHXHIUDIIVCUKM-UHFFFAOYSA-M
MW169.03 g/mol
LogP-0.89
Rot. Bonds4

About butyl(chloromethyl)alumanylium chloride

butyl(chloromethyl)alumanylium chloride (PubChem CID 175564527) has the molecular formula C5H11AlCl2 and a molecular weight of 169.03 g/mol. Its IUPAC name is butyl(chloromethyl)alumanylium chloride.

Molecular Properties

Compound Namebutyl(chloromethyl)alumanylium chloride
PubChem CID175564527
Molecular FormulaC5H11AlCl2
Molecular Weight169.03 g/mol
Exact Mass168.01
IUPAC Namebutyl(chloromethyl)alumanylium chloride
SMILESCCCC[Al+]CCl.[Cl-]
InChIInChI=1S/C4H9.CH2Cl.Al.ClH/c1-3-4-2;1-2;;/h1,3-4H2,2H3;1H2;;1H/q;;+1;/p-1
InChIKeyBHXHIUDIIVCUKM-UHFFFAOYSA-M
XLogP-0.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.03
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloromethyl(propyl)alumanylium
CID 175105560
dibutylalumanylium;trimethyl(oxido)silane
CID 87730250
chloroethane;pentane
CID 161358526
hexane;tungsten
CID 162105258
1-chlorobutane
CID 8005
dipropylalumanylium chloride
CID 16683948
dipropylalumanylium;hexane;hydride
CID 175456886
CID 174748890
CID 174748890
dichloromethane;hexane;oxolane
CID 19387301
calcium;pentane;dichloride
CID 174907743
hexane;titanium(3+);trichloride
CID 163599635
undecane chloride
CID 19736895

Frequently Asked Questions

What is the IUPAC name of butyl(chloromethyl)alumanylium chloride?
The IUPAC name of butyl(chloromethyl)alumanylium chloride (CID 175564527) is butyl(chloromethyl)alumanylium chloride.
What is the SMILES notation for butyl(chloromethyl)alumanylium chloride?
The canonical SMILES for butyl(chloromethyl)alumanylium chloride is CCCC[Al+]CCl.[Cl-].
What is the InChIKey of butyl(chloromethyl)alumanylium chloride?
The InChIKey is BHXHIUDIIVCUKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9.CH2Cl.Al.ClH/c1-3-4-2;1-2;;/h1,3-4H2,2H3;1H2;;1H/q;;+1;/p-1.
What are the key properties of butyl(chloromethyl)alumanylium chloride?
butyl(chloromethyl)alumanylium chloride has a molecular weight of 169.03 g/mol, XLogP of -0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(chloromethyl)alumanylium chloride is sourced from PubChem (CID 175564527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).