bis(2-methylpentyl)alumanylium;ethanolate

C14H31AlO — CID 21434185

IUPACbis(2-methylpentyl)alumanylium;ethanolate
SMILESCCCC(C)C[Al+]CC(C)CCC.CC[O-]
InChIInChI=1S/2C6H13.C2H5O.Al/c2*1-4-5-6(2)3;1-2-3;/h2*6H,2,4-5H2,1,3H3;2H2,1H3;/q;;-1;+1
InChIKeyGSFDREOAPIEOIP-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.77
Rot. Bonds8

About bis(2-methylpentyl)alumanylium;ethanolate

bis(2-methylpentyl)alumanylium;ethanolate (PubChem CID 21434185) has the molecular formula C14H31AlO and a molecular weight of 242.38 g/mol. Its IUPAC name is bis(2-methylpentyl)alumanylium;ethanolate.

Molecular Properties

Compound Namebis(2-methylpentyl)alumanylium;ethanolate
PubChem CID21434185
Molecular FormulaC14H31AlO
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Namebis(2-methylpentyl)alumanylium;ethanolate
SMILESCCCC(C)C[Al+]CC(C)CCC.CC[O-]
InChIInChI=1S/2C6H13.C2H5O.Al/c2*1-4-5-6(2)3;1-2-3;/h2*6H,2,4-5H2,1,3H3;2H2,1H3;/q;;-1;+1
InChIKeyGSFDREOAPIEOIP-UHFFFAOYSA-N
XLogP3.77
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis(2-methylpentyl)alumanylium;ethanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane
CID 16699099
Diethylalumanylium;2-methylpropan-1-olate
CID 18669819
Methanolate;2-methylpentylaluminum(2+)
CID 19766058
Methanolate;4-methylpentylaluminum(2+)
CID 19766060
Bis(3-methylpentyl)alumanylium;ethanolate
CID 19766065
Bis(2-methylhexyl)alumanylium;butan-1-olate
CID 19766069
Bis(4-methylpentyl)alumanylium;propan-1-olate
CID 19766074
Bis(2-methylpentyl)alumanylium;methanolate
CID 19766085
Diisobutylaluminum ethoxide
CID 21966196
Bis(2-methylpropyl)alumanylium;2-methylpropan-1-olate
CID 22480631
2-(4-Methylpentyl)oxaluminane
CID 87175694
2-(2-Methylpentyl)oxaluminane
CID 87769547

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpentyl)alumanylium;ethanolate?
The IUPAC name of bis(2-methylpentyl)alumanylium;ethanolate (CID 21434185) is bis(2-methylpentyl)alumanylium;ethanolate.
What is the SMILES notation for bis(2-methylpentyl)alumanylium;ethanolate?
The canonical SMILES for bis(2-methylpentyl)alumanylium;ethanolate is CCCC(C)C[Al+]CC(C)CCC.CC[O-].
What is the InChIKey of bis(2-methylpentyl)alumanylium;ethanolate?
The InChIKey is GSFDREOAPIEOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13.C2H5O.Al/c2*1-4-5-6(2)3;1-2-3;/h2*6H,2,4-5H2,1,3H3;2H2,1H3;/q;;-1;+1.
What are the key properties of bis(2-methylpentyl)alumanylium;ethanolate?
bis(2-methylpentyl)alumanylium;ethanolate has a molecular weight of 242.38 g/mol, XLogP of 3.77, 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;ethanolate is sourced from PubChem (CID 21434185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).