dihexyl-(4-methylphenoxy)alumane

C19H33AlO — CID 139948347

IUPACdihexyl-(4-methylphenoxy)alumane
SMILESCCCCCC[Al](CCCCCC)Oc1ccc(C)cc1
InChIInChI=1S/C7H8O.2C6H13.Al/c1-6-2-4-7(8)5-3-6;2*1-3-5-6-4-2;/h2-5,8H,1H3;2*1,3-6H2,2H3;/q;;;+1/p-1
InChIKeyCLOLXZYLEDOWMA-UHFFFAOYSA-M
MW304.45 g/mol
LogP6.53
Rot. Bonds12

About dihexyl-(4-methylphenoxy)alumane

dihexyl-(4-methylphenoxy)alumane (PubChem CID 139948347) has the molecular formula C19H33AlO and a molecular weight of 304.45 g/mol. Its IUPAC name is dihexyl-(4-methylphenoxy)alumane.

Molecular Properties

Compound Namedihexyl-(4-methylphenoxy)alumane
PubChem CID139948347
Molecular FormulaC19H33AlO
Molecular Weight304.45 g/mol
Exact Mass304.23
IUPAC Namedihexyl-(4-methylphenoxy)alumane
SMILESCCCCCC[Al](CCCCCC)Oc1ccc(C)cc1
InChIInChI=1S/C7H8O.2C6H13.Al/c1-6-2-4-7(8)5-3-6;2*1-3-5-6-4-2;/h2-5,8H,1H3;2*1,3-6H2,2H3;/q;;;+1/p-1
InChIKeyCLOLXZYLEDOWMA-UHFFFAOYSA-M
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.45
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihexyl-(4-methylphenoxy)alumane?
The IUPAC name of dihexyl-(4-methylphenoxy)alumane (CID 139948347) is dihexyl-(4-methylphenoxy)alumane.
What is the SMILES notation for dihexyl-(4-methylphenoxy)alumane?
The canonical SMILES for dihexyl-(4-methylphenoxy)alumane is CCCCCC[Al](CCCCCC)Oc1ccc(C)cc1.
What is the InChIKey of dihexyl-(4-methylphenoxy)alumane?
The InChIKey is CLOLXZYLEDOWMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O.2C6H13.Al/c1-6-2-4-7(8)5-3-6;2*1-3-5-6-4-2;/h2-5,8H,1H3;2*1,3-6H2,2H3;/q;;;+1/p-1.
What are the key properties of dihexyl-(4-methylphenoxy)alumane?
dihexyl-(4-methylphenoxy)alumane has a molecular weight of 304.45 g/mol, XLogP of 6.53, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihexyl-(4-methylphenoxy)alumane is sourced from PubChem (CID 139948347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).