2-propan-2-yloxaluminane

C7H15AlO — CID 87071972

IUPAC2-propan-2-yloxaluminane
SMILESCC(C)[Al]1CCCCO1
InChIInChI=1S/C4H8O.C3H7.Al/c1-2-3-4-5;1-3-2;/h1-4H2;3H,1-2H3;/q-1;;+1
InChIKeyKEKARHBGGZHNOU-UHFFFAOYSA-N
MW142.18 g/mol
LogP2.20
Rot. Bonds1

About 2-propan-2-yloxaluminane

2-propan-2-yloxaluminane (PubChem CID 87071972) has the molecular formula C7H15AlO and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-propan-2-yloxaluminane.

Molecular Properties

Compound Name2-propan-2-yloxaluminane
PubChem CID87071972
Molecular FormulaC7H15AlO
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-propan-2-yloxaluminane
SMILESCC(C)[Al]1CCCCO1
InChIInChI=1S/C4H8O.C3H7.Al/c1-2-3-4-5;1-3-2;/h1-4H2;3H,1-2H3;/q-1;;+1
InChIKeyKEKARHBGGZHNOU-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-propan-2-yloxaluminane 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

Ethylaluminoxane
CID 23260925
Butoxy(dimethyl)alumane
CID 16697704
Methylalumoxane
CID 23511181
CID 59076056
CID 59076056
Butyl alumoxane
CID 87064440
t-Butylaluminoxane
CID 87070300
Butoxyaluminium hydride
CID 87196395
Ethoxyalumoxane
CID 129760813
2-Fluorooxaluminane
CID 87257411
2-(Fluoromethyl)oxaluminane
CID 87808943
2-(1-Fluoroethyl)oxaluminane
CID 87811102
6-Fluoro-2-propyloxaluminane
CID 143389178

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxaluminane?
The IUPAC name of 2-propan-2-yloxaluminane (CID 87071972) is 2-propan-2-yloxaluminane.
What is the SMILES notation for 2-propan-2-yloxaluminane?
The canonical SMILES for 2-propan-2-yloxaluminane is CC(C)[Al]1CCCCO1.
What is the InChIKey of 2-propan-2-yloxaluminane?
The InChIKey is KEKARHBGGZHNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H7.Al/c1-2-3-4-5;1-3-2;/h1-4H2;3H,1-2H3;/q-1;;+1.
What are the key properties of 2-propan-2-yloxaluminane?
2-propan-2-yloxaluminane has a molecular weight of 142.18 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxaluminane is sourced from PubChem (CID 87071972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).