phenol;tris(2-methylpropyl)alumane

C18H33AlO — CID 174801249

IUPACphenol;tris(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)CC(C)C.Oc1ccccc1
InChIInChI=1S/C6H6O.3C4H9.Al/c7-6-4-2-1-3-5-6;3*1-4(2)3;/h1-5,7H;3*4H,1H2,2-3H3;
InChIKeyJRGKNRIIQSWGEZ-UHFFFAOYSA-N
MW292.44 g/mol
LogP5.84
Rot. Bonds6

About phenol;tris(2-methylpropyl)alumane

phenol;tris(2-methylpropyl)alumane (PubChem CID 174801249) has the molecular formula C18H33AlO and a molecular weight of 292.44 g/mol. Its IUPAC name is phenol;tris(2-methylpropyl)alumane.

Molecular Properties

Compound Namephenol;tris(2-methylpropyl)alumane
PubChem CID174801249
Molecular FormulaC18H33AlO
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Namephenol;tris(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)CC(C)C.Oc1ccccc1
InChIInChI=1S/C6H6O.3C4H9.Al/c7-6-4-2-1-3-5-6;3*1-4(2)3;/h1-5,7H;3*4H,1H2,2-3H3;
InChIKeyJRGKNRIIQSWGEZ-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.44
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenol;tris(2-methylpropyl)alumane?
The IUPAC name of phenol;tris(2-methylpropyl)alumane (CID 174801249) is phenol;tris(2-methylpropyl)alumane.
What is the SMILES notation for phenol;tris(2-methylpropyl)alumane?
The canonical SMILES for phenol;tris(2-methylpropyl)alumane is CC(C)C[Al](CC(C)C)CC(C)C.Oc1ccccc1.
What is the InChIKey of phenol;tris(2-methylpropyl)alumane?
The InChIKey is JRGKNRIIQSWGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.3C4H9.Al/c7-6-4-2-1-3-5-6;3*1-4(2)3;/h1-5,7H;3*4H,1H2,2-3H3;.
What are the key properties of phenol;tris(2-methylpropyl)alumane?
phenol;tris(2-methylpropyl)alumane has a molecular weight of 292.44 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;tris(2-methylpropyl)alumane is sourced from PubChem (CID 174801249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).