pentadecylaluminum(2+) dichloride

C15H31AlCl2 — CID 159233837

IUPACpentadecylaluminum(2+) dichloride
SMILESCCCCCCCCCCCCCCC[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C15H31.Al.2ClH/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;;/h1,3-15H2,2H3;;2*1H/q;+2;;/p-2
InChIKeyKTFNVKHTDUTYFC-UHFFFAOYSA-L
MW309.30 g/mol
LogP-0.33
Rot. Bonds13

About pentadecylaluminum(2+) dichloride

pentadecylaluminum(2+) dichloride (PubChem CID 159233837) has the molecular formula C15H31AlCl2 and a molecular weight of 309.30 g/mol. Its IUPAC name is pentadecylaluminum(2+) dichloride.

Molecular Properties

Compound Namepentadecylaluminum(2+) dichloride
PubChem CID159233837
Molecular FormulaC15H31AlCl2
Molecular Weight309.30 g/mol
Exact Mass308.16
IUPAC Namepentadecylaluminum(2+) dichloride
SMILESCCCCCCCCCCCCCCC[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C15H31.Al.2ClH/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;;/h1,3-15H2,2H3;;2*1H/q;+2;;/p-2
InChIKeyKTFNVKHTDUTYFC-UHFFFAOYSA-L
XLogP-0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 5-0.33
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

nonylaluminum(2+) difluoride
CID 87327880
dodecylaluminum(2+) diiodide
CID 19870049
bis(butylaluminum(2+));dibromide;dichloride
CID 160730621
hexakis(decane);manganese
CID 173234782
manganese;tetracosane
CID 175605770
undecane chloride
CID 19736895
azanium;dodecane;chloride
CID 172693740
magnesium;undecane;dichloride
CID 175829094
azanium;octacosane;chloride
CID 172810874
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of pentadecylaluminum(2+) dichloride?
The IUPAC name of pentadecylaluminum(2+) dichloride (CID 159233837) is pentadecylaluminum(2+) dichloride.
What is the SMILES notation for pentadecylaluminum(2+) dichloride?
The canonical SMILES for pentadecylaluminum(2+) dichloride is CCCCCCCCCCCCCCC[Al+2].[Cl-].[Cl-].
What is the InChIKey of pentadecylaluminum(2+) dichloride?
The InChIKey is KTFNVKHTDUTYFC-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H31.Al.2ClH/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;;/h1,3-15H2,2H3;;2*1H/q;+2;;/p-2.
What are the key properties of pentadecylaluminum(2+) dichloride?
pentadecylaluminum(2+) dichloride has a molecular weight of 309.30 g/mol, XLogP of -0.33, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecylaluminum(2+) dichloride is sourced from PubChem (CID 159233837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).