methanolate;4-methylpentylaluminum(2+)

C8H19AlO2 — CID 19766060

IUPACmethanolate;4-methylpentylaluminum(2+)
SMILESCC(C)CCC[Al+2].C[O-].C[O-]
InChIInChI=1S/C6H13.2CH3O.Al/c1-4-5-6(2)3;2*1-2;/h6H,1,4-5H2,2-3H3;2*1H3;/q;2*-1;+2
InChIKeyBIZUMIPBFGLNSP-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.04
Rot. Bonds3

About methanolate;4-methylpentylaluminum(2+)

methanolate;4-methylpentylaluminum(2+) (PubChem CID 19766060) has the molecular formula C8H19AlO2 and a molecular weight of 174.22 g/mol. Its IUPAC name is methanolate;4-methylpentylaluminum(2+).

Molecular Properties

Compound Namemethanolate;4-methylpentylaluminum(2+)
PubChem CID19766060
Molecular FormulaC8H19AlO2
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Namemethanolate;4-methylpentylaluminum(2+)
SMILESCC(C)CCC[Al+2].C[O-].C[O-]
InChIInChI=1S/C6H13.2CH3O.Al/c1-4-5-6(2)3;2*1-2;/h6H,1,4-5H2,2-3H3;2*1H3;/q;2*-1;+2
InChIKeyBIZUMIPBFGLNSP-UHFFFAOYSA-N
XLogP-0.04
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanolate;4-methylpentylaluminum(2+)?
The IUPAC name of methanolate;4-methylpentylaluminum(2+) (CID 19766060) is methanolate;4-methylpentylaluminum(2+).
What is the SMILES notation for methanolate;4-methylpentylaluminum(2+)?
The canonical SMILES for methanolate;4-methylpentylaluminum(2+) is CC(C)CCC[Al+2].C[O-].C[O-].
What is the InChIKey of methanolate;4-methylpentylaluminum(2+)?
The InChIKey is BIZUMIPBFGLNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.2CH3O.Al/c1-4-5-6(2)3;2*1-2;/h6H,1,4-5H2,2-3H3;2*1H3;/q;2*-1;+2.
What are the key properties of methanolate;4-methylpentylaluminum(2+)?
methanolate;4-methylpentylaluminum(2+) has a molecular weight of 174.22 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;4-methylpentylaluminum(2+) is sourced from PubChem (CID 19766060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).