2-tert-butyloxaluminane

C8H17AlO — CID 87070300

IUPAC2-tert-butyloxaluminane
SMILESCC(C)(C)[Al]1CCCCO1
InChIInChI=1S/C4H8O.C4H9.Al/c1-2-3-4-5;1-4(2)3;/h1-4H2;1-3H3;/q-1;;+1
InChIKeyUWZODPYTQSSIEQ-UHFFFAOYSA-N
MW156.21 g/mol
LogP2.59
Rot. Bonds

About 2-tert-butyloxaluminane

2-tert-butyloxaluminane (PubChem CID 87070300) has the molecular formula C8H17AlO and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-tert-butyloxaluminane.

Molecular Properties

Compound Name2-tert-butyloxaluminane
PubChem CID87070300
Molecular FormulaC8H17AlO
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Name2-tert-butyloxaluminane
SMILESCC(C)(C)[Al]1CCCCO1
InChIInChI=1S/C4H8O.C4H9.Al/c1-2-3-4-5;1-4(2)3;/h1-4H2;1-3H3;/q-1;;+1
InChIKeyUWZODPYTQSSIEQ-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylaluminoxane
CID 23260925
Butoxybis(2-methylpropyl)alumane
CID 16694179
Diethylaluminum butoxide
CID 16710546
Methylalumoxane
CID 23511181
Methylisobutylalumoxane
CID 86748138
Isobutylalumoxane
CID 87063602
Butyl alumoxane
CID 87064440
6-Fluoro-2-(2-methylpropyl)oxaluminane
CID 87807496
2-(1-Fluoro-2-methylpropyl)oxaluminane
CID 143389176
2-Butyl-6-fluorooxaluminane
CID 143389186
2-(1-Fluorobutyl)oxaluminane
CID 173627985
Butoxy(ditert-butyl)alumane
CID 16710543

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyloxaluminane?
The IUPAC name of 2-tert-butyloxaluminane (CID 87070300) is 2-tert-butyloxaluminane.
What is the SMILES notation for 2-tert-butyloxaluminane?
The canonical SMILES for 2-tert-butyloxaluminane is CC(C)(C)[Al]1CCCCO1.
What is the InChIKey of 2-tert-butyloxaluminane?
The InChIKey is UWZODPYTQSSIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H9.Al/c1-2-3-4-5;1-4(2)3;/h1-4H2;1-3H3;/q-1;;+1.
What are the key properties of 2-tert-butyloxaluminane?
2-tert-butyloxaluminane has a molecular weight of 156.21 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyloxaluminane is sourced from PubChem (CID 87070300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).