CID 88635562

C14H31Al3O — CID 88635562

IUPAC—
SMILESCC(C)C[Al].CC(C)C[Al]CCO[Al]CC(C)C
InChIInChI=1S/3C4H9.C2H4O.3Al/c3*1-4(2)3;1-2-3;;;/h3*4H,1H2,2-3H3;1-2H2;;;/q;;;-1;;;+1
InChIKeyWEVVKLQTZGIMLG-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.12
Rot. Bonds9

About CID 88635562

CID 88635562 (PubChem CID 88635562) has the molecular formula C14H31Al3O and a molecular weight of 296.35 g/mol.

Molecular Properties

Compound NameCID 88635562
PubChem CID88635562
Molecular FormulaC14H31Al3O
Molecular Weight296.35 g/mol
Exact Mass296.18
IUPAC Name—
SMILESCC(C)C[Al].CC(C)C[Al]CCO[Al]CC(C)C
InChIInChI=1S/3C4H9.C2H4O.3Al/c3*1-4(2)3;1-2-3;;;/h3*4H,1H2,2-3H3;1-2H2;;;/q;;;-1;;;+1
InChIKeyWEVVKLQTZGIMLG-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethoxydiisobutylaluminium
CID 16684015
Butoxybis(2-methylpropyl)alumane
CID 16694179
Diisobutylaluminum isobutoxide
CID 16705250
Methylisobutylalumoxane
CID 86748138
Isobutylalumoxane
CID 87063602
Butyl alumoxane
CID 87064440
t-Butylaluminoxane
CID 87070300
6-Fluoro-2-(2-methylpropyl)oxaluminane
CID 87807496
2-(1-Fluoro-2-methylpropyl)oxaluminane
CID 143389176
Methyl-bis(2-methylpropoxy)alumane
CID 16689597
Diethoxy(2-methylpropyl)alumane
CID 16697229
Diethylalumanylium;2-methylpropan-1-olate
CID 18669819

Frequently Asked Questions

What is the IUPAC name of CID 88635562?
The IUPAC name of CID 88635562 (CID 88635562) is not available.
What is the SMILES notation for CID 88635562?
The canonical SMILES for CID 88635562 is CC(C)C[Al].CC(C)C[Al]CCO[Al]CC(C)C.
What is the InChIKey of CID 88635562?
The InChIKey is WEVVKLQTZGIMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C2H4O.3Al/c3*1-4(2)3;1-2-3;;;/h3*4H,1H2,2-3H3;1-2H2;;;/q;;;-1;;;+1.
What are the key properties of CID 88635562?
CID 88635562 has a molecular weight of 296.35 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88635562 is sourced from PubChem (CID 88635562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).