oxaluminane

C4H9AlO — CID 131716739

IUPACoxaluminane
SMILESC1CC[AlH]OC1
InChIInChI=1S/C4H8O.Al.H/c1-2-3-4-5;;/h1-4H2;;/q-1;+1;
InChIKeyIXXNASRPFGDGQW-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.57
Rot. Bonds

About oxaluminane

oxaluminane (PubChem CID 131716739) has the molecular formula C4H9AlO and a molecular weight of 100.10 g/mol. Its IUPAC name is oxaluminane.

Molecular Properties

Compound Nameoxaluminane
PubChem CID131716739
Molecular FormulaC4H9AlO
Molecular Weight100.10 g/mol
Exact Mass100.05
IUPAC Nameoxaluminane
SMILESC1CC[AlH]OC1
InChIInChI=1S/C4H8O.Al.H/c1-2-3-4-5;;/h1-4H2;;/q-1;+1;
InChIKeyIXXNASRPFGDGQW-UHFFFAOYSA-N
XLogP0.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylaluminoxane
CID 23260925
Methylalumoxane
CID 23511181
CID 59076056
CID 59076056
Ethoxyalumoxane
CID 129760813
2-Fluorooxaluminane
CID 87257411
2-(Fluoromethyl)oxaluminane
CID 87808943
Oxaluminan-2-amine
CID 87064919
2-Propan-2-yloxaluminane
CID 87071972
CID 87078371
CID 87078371
2-Propyloxaluminane
CID 87110729
2-Chlorooxaluminane
CID 87112421
2-Bromooxaluminane
CID 87257383

Frequently Asked Questions

What is the IUPAC name of oxaluminane?
The IUPAC name of oxaluminane (CID 131716739) is oxaluminane.
What is the SMILES notation for oxaluminane?
The canonical SMILES for oxaluminane is C1CC[AlH]OC1.
What is the InChIKey of oxaluminane?
The InChIKey is IXXNASRPFGDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Al.H/c1-2-3-4-5;;/h1-4H2;;/q-1;+1;.
What are the key properties of oxaluminane?
oxaluminane has a molecular weight of 100.10 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxaluminane is sourced from PubChem (CID 131716739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).