tri(butan-2-yloxy)alumane

C12H27AlO3 — CID 16685157

IUPACtri(butan-2-yloxy)alumane
SMILESCCC(C)O[Al](OC(C)CC)OC(C)CC
InChIInChI=1S/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyWOZZOSDBXABUFO-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.42
Rot. Bonds9

About tri(butan-2-yloxy)alumane

tri(butan-2-yloxy)alumane (PubChem CID 16685157) has the molecular formula C12H27AlO3 and a molecular weight of 246.33 g/mol. Its IUPAC name is tri(butan-2-yloxy)alumane.

Molecular Properties

Compound Nametri(butan-2-yloxy)alumane
PubChem CID16685157
Molecular FormulaC12H27AlO3
Molecular Weight246.33 g/mol
Exact Mass246.18
IUPAC Nametri(butan-2-yloxy)alumane
SMILESCCC(C)O[Al](OC(C)CC)OC(C)CC
InChIInChI=1S/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyWOZZOSDBXABUFO-UHFFFAOYSA-N
XLogP3.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aluminum isopropoxide
CID 11143
Antimony(3+) tripropan-2-olate
CID 3034303
2-Butanol peroxide
CID 162258
Lanthanum isopropoxide
CID 9858075
Aluminum tributoxide, 95%
CID 16684880
Aluminum sec-butoxide
CID 61289
Aluminum tri-iso-propoxide
CID 16685055
Aluminum, diethyl(2-propanolato)-
CID 16683969
Praseodymium(III) isopropoxide
CID 2734038
Erbium(Iii) Isopropoxide
CID 2734042
Neodymium(III) isopropoxide
CID 2734134
Samarium(III) isopropoxide
CID 2734138

Frequently Asked Questions

What is the IUPAC name of tri(butan-2-yloxy)alumane?
The IUPAC name of tri(butan-2-yloxy)alumane (CID 16685157) is tri(butan-2-yloxy)alumane.
What is the SMILES notation for tri(butan-2-yloxy)alumane?
The canonical SMILES for tri(butan-2-yloxy)alumane is CCC(C)O[Al](OC(C)CC)OC(C)CC.
What is the InChIKey of tri(butan-2-yloxy)alumane?
The InChIKey is WOZZOSDBXABUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3.
What are the key properties of tri(butan-2-yloxy)alumane?
tri(butan-2-yloxy)alumane has a molecular weight of 246.33 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(butan-2-yloxy)alumane is sourced from PubChem (CID 16685157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).