bis(2-methylpentyl)alumanylium;methanolate

C13H29AlO — CID 19766085

IUPACbis(2-methylpentyl)alumanylium;methanolate
SMILESCCCC(C)C[Al+]CC(C)CCC.C[O-]
InChIInChI=1S/2C6H13.CH3O.Al/c2*1-4-5-6(2)3;1-2;/h2*6H,2,4-5H2,1,3H3;1H3;/q;;-1;+1
InChIKeyYYUAYECNDHFSRT-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.38
Rot. Bonds8

About bis(2-methylpentyl)alumanylium;methanolate

bis(2-methylpentyl)alumanylium;methanolate (PubChem CID 19766085) has the molecular formula C13H29AlO and a molecular weight of 228.36 g/mol. Its IUPAC name is bis(2-methylpentyl)alumanylium;methanolate.

Molecular Properties

Compound Namebis(2-methylpentyl)alumanylium;methanolate
PubChem CID19766085
Molecular FormulaC13H29AlO
Molecular Weight228.36 g/mol
Exact Mass228.20
IUPAC Namebis(2-methylpentyl)alumanylium;methanolate
SMILESCCCC(C)C[Al+]CC(C)CCC.C[O-]
InChIInChI=1S/2C6H13.CH3O.Al/c2*1-4-5-6(2)3;1-2;/h2*6H,2,4-5H2,1,3H3;1H3;/q;;-1;+1
InChIKeyYYUAYECNDHFSRT-UHFFFAOYSA-N
XLogP3.38
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpentyl)alumanylium;methanolate?
The IUPAC name of bis(2-methylpentyl)alumanylium;methanolate (CID 19766085) is bis(2-methylpentyl)alumanylium;methanolate.
What is the SMILES notation for bis(2-methylpentyl)alumanylium;methanolate?
The canonical SMILES for bis(2-methylpentyl)alumanylium;methanolate is CCCC(C)C[Al+]CC(C)CCC.C[O-].
What is the InChIKey of bis(2-methylpentyl)alumanylium;methanolate?
The InChIKey is YYUAYECNDHFSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13.CH3O.Al/c2*1-4-5-6(2)3;1-2;/h2*6H,2,4-5H2,1,3H3;1H3;/q;;-1;+1.
What are the key properties of bis(2-methylpentyl)alumanylium;methanolate?
bis(2-methylpentyl)alumanylium;methanolate has a molecular weight of 228.36 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpentyl)alumanylium;methanolate is sourced from PubChem (CID 19766085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).