chloro-bis(2-methylpropyl)alumane;hexane

C14H32AlCl — CID 174808933

IUPACchloro-bis(2-methylpropyl)alumane;hexane
SMILESCC(C)C[Al](Cl)CC(C)C.CCCCCC
InChIInChI=1S/C6H14.2C4H9.Al.ClH/c1-3-5-6-4-2;2*1-4(2)3;;/h3-6H2,1-2H3;2*4H,1H2,2-3H3;;1H/q;;;+1;/p-1
InChIKeyCJIRBTBJXGCSJW-UHFFFAOYSA-M
MW262.84 g/mol
LogP6.12
Rot. Bonds7

About chloro-bis(2-methylpropyl)alumane;hexane

chloro-bis(2-methylpropyl)alumane;hexane (PubChem CID 174808933) has the molecular formula C14H32AlCl and a molecular weight of 262.84 g/mol. Its IUPAC name is chloro-bis(2-methylpropyl)alumane;hexane.

Molecular Properties

Compound Namechloro-bis(2-methylpropyl)alumane;hexane
PubChem CID174808933
Molecular FormulaC14H32AlCl
Molecular Weight262.84 g/mol
Exact Mass262.20
IUPAC Namechloro-bis(2-methylpropyl)alumane;hexane
SMILESCC(C)C[Al](Cl)CC(C)C.CCCCCC
InChIInChI=1S/C6H14.2C4H9.Al.ClH/c1-3-5-6-4-2;2*1-4(2)3;;/h3-6H2,1-2H3;2*4H,1H2,2-3H3;;1H/q;;;+1;/p-1
InChIKeyCJIRBTBJXGCSJW-UHFFFAOYSA-M
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.84
LogP ≤ 56.12
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
lithium butyl-bis(2-methylpropyl)alumane
CID 16714974
chloro(didecyl)alumane
CID 12640715
ethane;hexane;2-methylpropane
CID 143834457
hexane;2-methylbutane;2-methylpropane;pentane
CID 160929547
hexane;2-methylpropan-1-ol
CID 19979471
hexane;2-methylpentane
CID 19835603
CID 172851421
CID 172851421
CID 161216038
CID 161216038
beryllium;hexane;hydride
CID 173045264
ethane;heptane;2-methylpropane
CID 167499531
chlorosilane;2-methylundecane
CID 173228312

Frequently Asked Questions

What is the IUPAC name of chloro-bis(2-methylpropyl)alumane;hexane?
The IUPAC name of chloro-bis(2-methylpropyl)alumane;hexane (CID 174808933) is chloro-bis(2-methylpropyl)alumane;hexane.
What is the SMILES notation for chloro-bis(2-methylpropyl)alumane;hexane?
The canonical SMILES for chloro-bis(2-methylpropyl)alumane;hexane is CC(C)C[Al](Cl)CC(C)C.CCCCCC.
What is the InChIKey of chloro-bis(2-methylpropyl)alumane;hexane?
The InChIKey is CJIRBTBJXGCSJW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14.2C4H9.Al.ClH/c1-3-5-6-4-2;2*1-4(2)3;;/h3-6H2,1-2H3;2*4H,1H2,2-3H3;;1H/q;;;+1;/p-1.
What are the key properties of chloro-bis(2-methylpropyl)alumane;hexane?
chloro-bis(2-methylpropyl)alumane;hexane has a molecular weight of 262.84 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(2-methylpropyl)alumane;hexane is sourced from PubChem (CID 174808933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).