2-methyloxaluminane

C5H11AlO — CID 23511181

IUPAC2-methyloxaluminane
SMILESC[Al]1CCCCO1
InChIInChI=1S/C4H8O.CH3.Al/c1-2-3-4-5;;/h1-4H2;1H3;/q-1;;+1
InChIKeyAQZWEFBJYQSQEH-UHFFFAOYSA-N
MW114.12 g/mol
LogP1.42
Rot. Bonds

About 2-methyloxaluminane

2-methyloxaluminane (PubChem CID 23511181) has the molecular formula C5H11AlO and a molecular weight of 114.12 g/mol. Its IUPAC name is 2-methyloxaluminane.

Molecular Properties

Compound Name2-methyloxaluminane
PubChem CID23511181
Molecular FormulaC5H11AlO
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name2-methyloxaluminane
SMILESC[Al]1CCCCO1
InChIInChI=1S/C4H8O.CH3.Al/c1-2-3-4-5;;/h1-4H2;1H3;/q-1;;+1
InChIKeyAQZWEFBJYQSQEH-UHFFFAOYSA-N
XLogP1.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylaluminoxane
CID 23260925
Butoxy(dimethyl)alumane
CID 16697704
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
2-Ethyl-6-fluorooxaluminane
CID 174515494

Frequently Asked Questions

What is the IUPAC name of 2-methyloxaluminane?
The IUPAC name of 2-methyloxaluminane (CID 23511181) is 2-methyloxaluminane.
What is the SMILES notation for 2-methyloxaluminane?
The canonical SMILES for 2-methyloxaluminane is C[Al]1CCCCO1.
What is the InChIKey of 2-methyloxaluminane?
The InChIKey is AQZWEFBJYQSQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH3.Al/c1-2-3-4-5;;/h1-4H2;1H3;/q-1;;+1.
What are the key properties of 2-methyloxaluminane?
2-methyloxaluminane has a molecular weight of 114.12 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxaluminane is sourced from PubChem (CID 23511181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).