tri(propan-2-yloxy)alumane

C9H21AlO3 — CID 16685055

IUPACtri(propan-2-yloxy)alumane
SMILESCC(C)O[Al](OC(C)C)OC(C)C
InChIInChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKeySMZOGRDCAXLAAR-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.25
Rot. Bonds6

About tri(propan-2-yloxy)alumane

tri(propan-2-yloxy)alumane (PubChem CID 16685055) has the molecular formula C9H21AlO3 and a molecular weight of 204.25 g/mol. Its IUPAC name is tri(propan-2-yloxy)alumane.

Molecular Properties

Compound Nametri(propan-2-yloxy)alumane
PubChem CID16685055
Molecular FormulaC9H21AlO3
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Nametri(propan-2-yloxy)alumane
SMILESCC(C)O[Al](OC(C)C)OC(C)C
InChIInChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3
InChIKeySMZOGRDCAXLAAR-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yloxy)alumane?
The IUPAC name of tri(propan-2-yloxy)alumane (CID 16685055) is tri(propan-2-yloxy)alumane.
What is the SMILES notation for tri(propan-2-yloxy)alumane?
The canonical SMILES for tri(propan-2-yloxy)alumane is CC(C)O[Al](OC(C)C)OC(C)C.
What is the InChIKey of tri(propan-2-yloxy)alumane?
The InChIKey is SMZOGRDCAXLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.Al/c3*1-3(2)4;/h3*3H,1-2H3;/q3*-1;+3.
What are the key properties of tri(propan-2-yloxy)alumane?
tri(propan-2-yloxy)alumane has a molecular weight of 204.25 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yloxy)alumane is sourced from PubChem (CID 16685055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).