2,6-dimethylheptan-4-yloxyaluminum(2+)

C9H19AlO+2 — CID 139598110

IUPAC2,6-dimethylheptan-4-yloxyaluminum(2+)
SMILESCC(C)CC(CC(C)C)O[Al+2]
InChIInChI=1S/C9H19O.Al/c1-7(2)5-9(10)6-8(3)4;/h7-9H,5-6H2,1-4H3;/q-1;+3
InChIKeyYXEGQCLTWOCOIQ-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.55
Rot. Bonds5

About 2,6-dimethylheptan-4-yloxyaluminum(2+)

2,6-dimethylheptan-4-yloxyaluminum(2+) (PubChem CID 139598110) has the molecular formula C9H19AlO+2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 2,6-dimethylheptan-4-yloxyaluminum(2+).

Molecular Properties

Compound Name2,6-dimethylheptan-4-yloxyaluminum(2+)
PubChem CID139598110
Molecular FormulaC9H19AlO+2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name2,6-dimethylheptan-4-yloxyaluminum(2+)
SMILESCC(C)CC(CC(C)C)O[Al+2]
InChIInChI=1S/C9H19O.Al/c1-7(2)5-9(10)6-8(3)4;/h7-9H,5-6H2,1-4H3;/q-1;+3
InChIKeyYXEGQCLTWOCOIQ-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylheptan-4-yloxyaluminum(2+)?
The IUPAC name of 2,6-dimethylheptan-4-yloxyaluminum(2+) (CID 139598110) is 2,6-dimethylheptan-4-yloxyaluminum(2+).
What is the SMILES notation for 2,6-dimethylheptan-4-yloxyaluminum(2+)?
The canonical SMILES for 2,6-dimethylheptan-4-yloxyaluminum(2+) is CC(C)CC(CC(C)C)O[Al+2].
What is the InChIKey of 2,6-dimethylheptan-4-yloxyaluminum(2+)?
The InChIKey is YXEGQCLTWOCOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O.Al/c1-7(2)5-9(10)6-8(3)4;/h7-9H,5-6H2,1-4H3;/q-1;+3.
What are the key properties of 2,6-dimethylheptan-4-yloxyaluminum(2+)?
2,6-dimethylheptan-4-yloxyaluminum(2+) has a molecular weight of 170.23 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylheptan-4-yloxyaluminum(2+) is sourced from PubChem (CID 139598110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).