chloro(didecyl)alumane

C20H42AlCl — CID 12640715

IUPACchloro(didecyl)alumane
SMILESCCCCCCCCCC[Al](Cl)CCCCCCCCCC
InChIInChI=1S/2C10H21.Al.ClH/c2*1-3-5-7-9-10-8-6-4-2;;/h2*1,3-10H2,2H3;;1H/q;;+1;/p-1
InChIKeySNGSKWOIQYYRCE-UHFFFAOYSA-M
MW344.99 g/mol
LogP8.50
Rot. Bonds18

About chloro(didecyl)alumane

chloro(didecyl)alumane (PubChem CID 12640715) has the molecular formula C20H42AlCl and a molecular weight of 344.99 g/mol. Its IUPAC name is chloro(didecyl)alumane.

Molecular Properties

Compound Namechloro(didecyl)alumane
PubChem CID12640715
Molecular FormulaC20H42AlCl
Molecular Weight344.99 g/mol
Exact Mass344.28
IUPAC Namechloro(didecyl)alumane
SMILESCCCCCCCCCC[Al](Cl)CCCCCCCCCC
InChIInChI=1S/2C10H21.Al.ClH/c2*1-3-5-7-9-10-8-6-4-2;;/h2*1,3-10H2,2H3;;1H/q;;+1;/p-1
InChIKeySNGSKWOIQYYRCE-UHFFFAOYSA-M
XLogP8.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.99
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chloro(dimethyl)alumane;hexadecane
CID 174630771
CID 172851421
CID 172851421
CID 161216038
CID 161216038
heptane;trihexylalumane
CID 22011139
dimethyl(nonadecyl)alumane
CID 142743873
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of chloro(didecyl)alumane?
The IUPAC name of chloro(didecyl)alumane (CID 12640715) is chloro(didecyl)alumane.
What is the SMILES notation for chloro(didecyl)alumane?
The canonical SMILES for chloro(didecyl)alumane is CCCCCCCCCC[Al](Cl)CCCCCCCCCC.
What is the InChIKey of chloro(didecyl)alumane?
The InChIKey is SNGSKWOIQYYRCE-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H21.Al.ClH/c2*1-3-5-7-9-10-8-6-4-2;;/h2*1,3-10H2,2H3;;1H/q;;+1;/p-1.
What are the key properties of chloro(didecyl)alumane?
chloro(didecyl)alumane has a molecular weight of 344.99 g/mol, XLogP of 8.50, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(didecyl)alumane is sourced from PubChem (CID 12640715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).