2-methylpropoxy(oxo)alumane

C4H9AlO2 — CID 16693011

IUPAC2-methylpropoxy(oxo)alumane
SMILESCC(C)CO[Al]=O
InChIInChI=1S/C4H9O.Al.O/c1-4(2)3-5;;/h4H,3H2,1-2H3;;/q-1;+1;
InChIKeyPBIMHQUCYQLVAU-UHFFFAOYSA-N
MW116.10 g/mol
LogP0.62
Rot. Bonds3

About 2-methylpropoxy(oxo)alumane

2-methylpropoxy(oxo)alumane (PubChem CID 16693011) has the molecular formula C4H9AlO2 and a molecular weight of 116.10 g/mol. Its IUPAC name is 2-methylpropoxy(oxo)alumane.

Molecular Properties

Compound Name2-methylpropoxy(oxo)alumane
PubChem CID16693011
Molecular FormulaC4H9AlO2
Molecular Weight116.10 g/mol
Exact Mass116.04
IUPAC Name2-methylpropoxy(oxo)alumane
SMILESCC(C)CO[Al]=O
InChIInChI=1S/C4H9O.Al.O/c1-4(2)3-5;;/h4H,3H2,1-2H3;;/q-1;+1;
InChIKeyPBIMHQUCYQLVAU-UHFFFAOYSA-N
XLogP0.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.10
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropoxy(oxo)alumane?
The IUPAC name of 2-methylpropoxy(oxo)alumane (CID 16693011) is 2-methylpropoxy(oxo)alumane.
What is the SMILES notation for 2-methylpropoxy(oxo)alumane?
The canonical SMILES for 2-methylpropoxy(oxo)alumane is CC(C)CO[Al]=O.
What is the InChIKey of 2-methylpropoxy(oxo)alumane?
The InChIKey is PBIMHQUCYQLVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Al.O/c1-4(2)3-5;;/h4H,3H2,1-2H3;;/q-1;+1;.
What are the key properties of 2-methylpropoxy(oxo)alumane?
2-methylpropoxy(oxo)alumane has a molecular weight of 116.10 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropoxy(oxo)alumane is sourced from PubChem (CID 16693011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).