(2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane

C20H35AlO — CID 139747426

IUPAC(2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane
SMILESCc1cc(C)c(O[Al](CC(C)C)CC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C12H18O.2C4H9.Al/c1-8-6-9(2)11(13)10(7-8)12(3,4)5;2*1-4(2)3;/h6-7,13H,1-5H3;2*4H,1H2,2-3H3;/q;;;+1/p-1
InChIKeyHRLZPFIMSQPMSZ-UHFFFAOYSA-M
MW318.48 g/mol
LogP6.28
Rot. Bonds6

About (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane

(2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane (PubChem CID 139747426) has the molecular formula C20H35AlO and a molecular weight of 318.48 g/mol. Its IUPAC name is (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Name(2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane
PubChem CID139747426
Molecular FormulaC20H35AlO
Molecular Weight318.48 g/mol
Exact Mass318.25
IUPAC Name(2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane
SMILESCc1cc(C)c(O[Al](CC(C)C)CC(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C12H18O.2C4H9.Al/c1-8-6-9(2)11(13)10(7-8)12(3,4)5;2*1-4(2)3;/h6-7,13H,1-5H3;2*4H,1H2,2-3H3;/q;;;+1/p-1
InChIKeyHRLZPFIMSQPMSZ-UHFFFAOYSA-M
XLogP6.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.48
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane?
The IUPAC name of (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane (CID 139747426) is (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane.
What is the SMILES notation for (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane?
The canonical SMILES for (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane is Cc1cc(C)c(O[Al](CC(C)C)CC(C)C)c(C(C)(C)C)c1.
What is the InChIKey of (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane?
The InChIKey is HRLZPFIMSQPMSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H18O.2C4H9.Al/c1-8-6-9(2)11(13)10(7-8)12(3,4)5;2*1-4(2)3;/h6-7,13H,1-5H3;2*4H,1H2,2-3H3;/q;;;+1/p-1.
What are the key properties of (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane?
(2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane has a molecular weight of 318.48 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4,6-dimethylphenoxy)-bis(2-methylpropyl)alumane is sourced from PubChem (CID 139747426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).