chloromethyl(propyl)alumanylium

C4H9AlCl+ — CID 175105560

IUPACchloromethyl(propyl)alumanylium
SMILESCCC[Al+]CCl
InChIInChI=1S/C3H7.CH2Cl.Al/c1-3-2;1-2;/h1,3H2,2H3;1H2;/q;;+1
InChIKeyLOFXZNDGAZYOAI-UHFFFAOYSA-N
MW119.55 g/mol
LogP1.72
Rot. Bonds3

About chloromethyl(propyl)alumanylium

chloromethyl(propyl)alumanylium (PubChem CID 175105560) has the molecular formula C4H9AlCl+ and a molecular weight of 119.55 g/mol. Its IUPAC name is chloromethyl(propyl)alumanylium.

Molecular Properties

Compound Namechloromethyl(propyl)alumanylium
PubChem CID175105560
Molecular FormulaC4H9AlCl+
Molecular Weight119.55 g/mol
Exact Mass119.02
IUPAC Namechloromethyl(propyl)alumanylium
SMILESCCC[Al+]CCl
InChIInChI=1S/C3H7.CH2Cl.Al/c1-3-2;1-2;/h1,3H2,2H3;1H2;/q;;+1
InChIKeyLOFXZNDGAZYOAI-UHFFFAOYSA-N
XLogP1.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.55
LogP ≤ 51.72
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

butyl(chloromethyl)alumanylium chloride
CID 175564527
dipropylalumanylium chloride
CID 16683948
dipropylalumanylium;hexane;hydride
CID 175456886
chloroethane;pentane
CID 161358526
aluminum chloroethane
CID 22498058
butane;chloromethane
CID 23360987
1-chlorobutane
CID 8005
1-chlorohept-3-yne
CID 11434969
chloroethane;methanamine
CID 174417193
CID 88775840
CID 88775840
hexane;tungsten
CID 162105258
dichloromethane;heptane;hydrate
CID 19689114

Frequently Asked Questions

What is the IUPAC name of chloromethyl(propyl)alumanylium?
The IUPAC name of chloromethyl(propyl)alumanylium (CID 175105560) is chloromethyl(propyl)alumanylium.
What is the SMILES notation for chloromethyl(propyl)alumanylium?
The canonical SMILES for chloromethyl(propyl)alumanylium is CCC[Al+]CCl.
What is the InChIKey of chloromethyl(propyl)alumanylium?
The InChIKey is LOFXZNDGAZYOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7.CH2Cl.Al/c1-3-2;1-2;/h1,3H2,2H3;1H2;/q;;+1.
What are the key properties of chloromethyl(propyl)alumanylium?
chloromethyl(propyl)alumanylium has a molecular weight of 119.55 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl(propyl)alumanylium is sourced from PubChem (CID 175105560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).