butylalumane;chloromethane

C5H14AlCl — CID 174672871

IUPACbutylalumane;chloromethane
SMILESCCCC[AlH2].CCl
InChIInChI=1S/C4H9.CH3Cl.Al.2H/c1-3-4-2;1-2;;;/h1,3-4H2,2H3;1H3;;;
InChIKeyMKIQRWWGBWIPNQ-UHFFFAOYSA-N
MW136.60 g/mol
LogP1.69
Rot. Bonds2

About butylalumane;chloromethane

butylalumane;chloromethane (PubChem CID 174672871) has the molecular formula C5H14AlCl and a molecular weight of 136.60 g/mol. Its IUPAC name is butylalumane;chloromethane.

Molecular Properties

Compound Namebutylalumane;chloromethane
PubChem CID174672871
Molecular FormulaC5H14AlCl
Molecular Weight136.60 g/mol
Exact Mass136.06
IUPAC Namebutylalumane;chloromethane
SMILESCCCC[AlH2].CCl
InChIInChI=1S/C4H9.CH3Cl.Al.2H/c1-3-4-2;1-2;;;/h1,3-4H2,2H3;1H3;;;
InChIKeyMKIQRWWGBWIPNQ-UHFFFAOYSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.60
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;butylalumane
CID 174290627
dodecylalumane;dihydrobromide
CID 174323445
dodecylalumane;dihydrochloride
CID 174558793
hexane;molybdenum
CID 162092649
tert-butyl(oxo)silane;octylalumane
CID 175223496
calcium;pentane;dichloride
CID 174907743
beryllium;hexane;hydride
CID 173045264
2,2-dichloroethylalumane;hexane
CID 175115338
dioctylalumane;hexylalumane
CID 175046144
butane;chloromethane
CID 23360987
alumane;ethylalumane
CID 173413835
ethylalumane;tetrahydrochloride
CID 174489034

Frequently Asked Questions

What is the IUPAC name of butylalumane;chloromethane?
The IUPAC name of butylalumane;chloromethane (CID 174672871) is butylalumane;chloromethane.
What is the SMILES notation for butylalumane;chloromethane?
The canonical SMILES for butylalumane;chloromethane is CCCC[AlH2].CCl.
What is the InChIKey of butylalumane;chloromethane?
The InChIKey is MKIQRWWGBWIPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.CH3Cl.Al.2H/c1-3-4-2;1-2;;;/h1,3-4H2,2H3;1H3;;;.
What are the key properties of butylalumane;chloromethane?
butylalumane;chloromethane has a molecular weight of 136.60 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butylalumane;chloromethane is sourced from PubChem (CID 174672871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).