methanolate;2-methylbutylaluminum(2+)

C7H17AlO2 — CID 19766055

IUPACmethanolate;2-methylbutylaluminum(2+)
SMILESCCC(C)C[Al+2].C[O-].C[O-]
InChIInChI=1S/C5H11.2CH3O.Al/c1-4-5(2)3;2*1-2;/h5H,2,4H2,1,3H3;2*1H3;/q;2*-1;+2
InChIKeyBTGCVCDAMQNVKC-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.43
Rot. Bonds2

About methanolate;2-methylbutylaluminum(2+)

methanolate;2-methylbutylaluminum(2+) (PubChem CID 19766055) has the molecular formula C7H17AlO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is methanolate;2-methylbutylaluminum(2+).

Molecular Properties

Compound Namemethanolate;2-methylbutylaluminum(2+)
PubChem CID19766055
Molecular FormulaC7H17AlO2
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Namemethanolate;2-methylbutylaluminum(2+)
SMILESCCC(C)C[Al+2].C[O-].C[O-]
InChIInChI=1S/C5H11.2CH3O.Al/c1-4-5(2)3;2*1-2;/h5H,2,4H2,1,3H3;2*1H3;/q;2*-1;+2
InChIKeyBTGCVCDAMQNVKC-UHFFFAOYSA-N
XLogP-0.43
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbutylaluminum(2+) dibromide
CID 174718985
methane;3-methylpentane
CID 157218592
3-methylpentane;hydrate
CID 144914279
3-methylpentane;propane
CID 123266773
methane;3-methylpentane
CID 153359275
ethane;3-methylpentane
CID 91147782
methyl-tris(2-methylbutyl)phosphanium
CID 18415083
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
tetrakis(2-methylbutan-1-olate);titanium(4+)
CID 22496767
sodium 2-methylbutan-1-olate
CID 23683800
2-methylbutyl-oxido-sulfanylidene-λ4-sulfane
CID 89374363
(5R)-2,3,5-trimethylheptane
CID 59882960

Frequently Asked Questions

What is the IUPAC name of methanolate;2-methylbutylaluminum(2+)?
The IUPAC name of methanolate;2-methylbutylaluminum(2+) (CID 19766055) is methanolate;2-methylbutylaluminum(2+).
What is the SMILES notation for methanolate;2-methylbutylaluminum(2+)?
The canonical SMILES for methanolate;2-methylbutylaluminum(2+) is CCC(C)C[Al+2].C[O-].C[O-].
What is the InChIKey of methanolate;2-methylbutylaluminum(2+)?
The InChIKey is BTGCVCDAMQNVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.2CH3O.Al/c1-4-5(2)3;2*1-2;/h5H,2,4H2,1,3H3;2*1H3;/q;2*-1;+2.
What are the key properties of methanolate;2-methylbutylaluminum(2+)?
methanolate;2-methylbutylaluminum(2+) has a molecular weight of 160.19 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;2-methylbutylaluminum(2+) is sourced from PubChem (CID 19766055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).