diphenyl(prop-2-enyl)alumane

C15H15Al — CID 16702068

IUPACdiphenyl(prop-2-enyl)alumane
SMILESC=CC[Al](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C3H5.Al/c2*1-2-4-6-5-3-1;1-3-2;/h2*1-5H;3H,1-2H2;
InChIKeyXRVGMJQGCMXRCS-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.48
Rot. Bonds4

About diphenyl(prop-2-enyl)alumane

diphenyl(prop-2-enyl)alumane (PubChem CID 16702068) has the molecular formula C15H15Al and a molecular weight of 222.27 g/mol. Its IUPAC name is diphenyl(prop-2-enyl)alumane.

Molecular Properties

Compound Namediphenyl(prop-2-enyl)alumane
PubChem CID16702068
Molecular FormulaC15H15Al
Molecular Weight222.27 g/mol
Exact Mass222.10
IUPAC Namediphenyl(prop-2-enyl)alumane
SMILESC=CC[Al](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C3H5.Al/c2*1-2-4-6-5-3-1;1-3-2;/h2*1-5H;3H,1-2H2;
InChIKeyXRVGMJQGCMXRCS-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl(prop-2-enyl)alumane?
The IUPAC name of diphenyl(prop-2-enyl)alumane (CID 16702068) is diphenyl(prop-2-enyl)alumane.
What is the SMILES notation for diphenyl(prop-2-enyl)alumane?
The canonical SMILES for diphenyl(prop-2-enyl)alumane is C=CC[Al](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(prop-2-enyl)alumane?
The InChIKey is XRVGMJQGCMXRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.C3H5.Al/c2*1-2-4-6-5-3-1;1-3-2;/h2*1-5H;3H,1-2H2;.
What are the key properties of diphenyl(prop-2-enyl)alumane?
diphenyl(prop-2-enyl)alumane has a molecular weight of 222.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(prop-2-enyl)alumane is sourced from PubChem (CID 16702068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).