methyl-bis(2-phenylethynyl)alumane

C17H13Al — CID 177448943

IUPACmethyl-bis(2-phenylethynyl)alumane
SMILESC[Al](C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/2C8H5.CH3.Al/c2*1-2-8-6-4-3-5-7-8;;/h2*3-7H;1H3;
InChIKeyKCQVWVXUUIKBKZ-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.29
Rot. Bonds

About methyl-bis(2-phenylethynyl)alumane

methyl-bis(2-phenylethynyl)alumane (PubChem CID 177448943) has the molecular formula C17H13Al and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl-bis(2-phenylethynyl)alumane.

Molecular Properties

Compound Namemethyl-bis(2-phenylethynyl)alumane
PubChem CID177448943
Molecular FormulaC17H13Al
Molecular Weight244.27 g/mol
Exact Mass244.08
IUPAC Namemethyl-bis(2-phenylethynyl)alumane
SMILESC[Al](C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/2C8H5.CH3.Al/c2*1-2-8-6-4-3-5-7-8;;/h2*3-7H;1H3;
InChIKeyKCQVWVXUUIKBKZ-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-bis(2-phenylethynyl)alumane?
The IUPAC name of methyl-bis(2-phenylethynyl)alumane (CID 177448943) is methyl-bis(2-phenylethynyl)alumane.
What is the SMILES notation for methyl-bis(2-phenylethynyl)alumane?
The canonical SMILES for methyl-bis(2-phenylethynyl)alumane is C[Al](C#Cc1ccccc1)C#Cc1ccccc1.
What is the InChIKey of methyl-bis(2-phenylethynyl)alumane?
The InChIKey is KCQVWVXUUIKBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H5.CH3.Al/c2*1-2-8-6-4-3-5-7-8;;/h2*3-7H;1H3;.
What are the key properties of methyl-bis(2-phenylethynyl)alumane?
methyl-bis(2-phenylethynyl)alumane has a molecular weight of 244.27 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(2-phenylethynyl)alumane is sourced from PubChem (CID 177448943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).