tris(2-methylphenyl)alumane

C21H21Al — CID 16685668

IUPACtris(2-methylphenyl)alumane
SMILESCc1ccccc1[Al](c1ccccc1C)c1ccccc1C
InChIInChI=1S/3C7H7.Al/c3*1-7-5-3-2-4-6-7;/h3*2-5H,1H3;
InChIKeyCFCIWEFTNUMUJY-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.13
Rot. Bonds3

About tris(2-methylphenyl)alumane

tris(2-methylphenyl)alumane (PubChem CID 16685668) has the molecular formula C21H21Al and a molecular weight of 300.38 g/mol. Its IUPAC name is tris(2-methylphenyl)alumane.

Molecular Properties

Compound Nametris(2-methylphenyl)alumane
PubChem CID16685668
Molecular FormulaC21H21Al
Molecular Weight300.38 g/mol
Exact Mass300.15
IUPAC Nametris(2-methylphenyl)alumane
SMILESCc1ccccc1[Al](c1ccccc1C)c1ccccc1C
InChIInChI=1S/3C7H7.Al/c3*1-7-5-3-2-4-6-7;/h3*2-5H,1H3;
InChIKeyCFCIWEFTNUMUJY-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-xylene
CID 173422016
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
sodium;hydride;1,2-xylene
CID 173009635
azane;1,2-xylene;hydrate
CID 158522930
ethane;methane;pentakis(1,2-xylene)
CID 158909718
CID 174747854
CID 174747854

Frequently Asked Questions

What is the IUPAC name of tris(2-methylphenyl)alumane?
The IUPAC name of tris(2-methylphenyl)alumane (CID 16685668) is tris(2-methylphenyl)alumane.
What is the SMILES notation for tris(2-methylphenyl)alumane?
The canonical SMILES for tris(2-methylphenyl)alumane is Cc1ccccc1[Al](c1ccccc1C)c1ccccc1C.
What is the InChIKey of tris(2-methylphenyl)alumane?
The InChIKey is CFCIWEFTNUMUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H7.Al/c3*1-7-5-3-2-4-6-7;/h3*2-5H,1H3;.
What are the key properties of tris(2-methylphenyl)alumane?
tris(2-methylphenyl)alumane has a molecular weight of 300.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylphenyl)alumane is sourced from PubChem (CID 16685668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).