chloroaluminum(2+);bis(octane)

C16H34AlCl — CID 6101597

IUPACchloroaluminum(2+);bis(octane)
SMILES[Al+2]Cl.[CH2-]CCCCCCC.[CH2-]CCCCCCC
InChIInChI=1S/2C8H17.Al.ClH/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;1H/q2*-1;+3;/p-1
InChIKeyXDSOKTVRSBUDBC-UHFFFAOYSA-M
MW288.88 g/mol
LogP6.67
Rot. Bonds10

About chloroaluminum(2+);bis(octane)

chloroaluminum(2+);bis(octane) (PubChem CID 6101597) has the molecular formula C16H34AlCl and a molecular weight of 288.88 g/mol. Its IUPAC name is chloroaluminum(2+);bis(octane).

Molecular Properties

Compound Namechloroaluminum(2+);bis(octane)
PubChem CID6101597
Molecular FormulaC16H34AlCl
Molecular Weight288.88 g/mol
Exact Mass288.22
IUPAC Namechloroaluminum(2+);bis(octane)
SMILES[Al+2]Cl.[CH2-]CCCCCCC.[CH2-]CCCCCCC
InChIInChI=1S/2C8H17.Al.ClH/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;1H/q2*-1;+3;/p-1
InChIKeyXDSOKTVRSBUDBC-UHFFFAOYSA-M
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.88
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

heptadecane
CID 156905849
cerium;dodecane
CID 154114371
dodecane;zirconium
CID 148549415
zinc heptane
CID 4204916
bis(octane);zinc
CID 175041964
tris(heptane);vanadium
CID 59340167
sodium tritriacontane
CID 150964196
tetrakis(heptane);zirconium(4+)
CID 154501032
lithium tridecane
CID 11321439
lithium heptadecane
CID 12950399
manganese;tetradecane
CID 173260191
tetrakis(dodecane);zirconium(4+)
CID 173426195

Frequently Asked Questions

What is the IUPAC name of chloroaluminum(2+);bis(octane)?
The IUPAC name of chloroaluminum(2+);bis(octane) (CID 6101597) is chloroaluminum(2+);bis(octane).
What is the SMILES notation for chloroaluminum(2+);bis(octane)?
The canonical SMILES for chloroaluminum(2+);bis(octane) is [Al+2]Cl.[CH2-]CCCCCCC.[CH2-]CCCCCCC.
What is the InChIKey of chloroaluminum(2+);bis(octane)?
The InChIKey is XDSOKTVRSBUDBC-UHFFFAOYSA-M. The full InChI is InChI=1S/2C8H17.Al.ClH/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;1H/q2*-1;+3;/p-1.
What are the key properties of chloroaluminum(2+);bis(octane)?
chloroaluminum(2+);bis(octane) has a molecular weight of 288.88 g/mol, XLogP of 6.67, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroaluminum(2+);bis(octane) is sourced from PubChem (CID 6101597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).