di(butan-2-yloxy)alumanyl acetate

C10H21AlO4 — CID 16707458

IUPACdi(butan-2-yloxy)alumanyl acetate
SMILESCCC(C)O[Al](OC(C)=O)OC(C)CC
InChIInChI=1S/2C4H9O.C2H4O2.Al/c2*1-3-4(2)5;1-2(3)4;/h2*4H,3H2,1-2H3;1H3,(H,3,4);/q2*-1;;+3/p-1
InChIKeyZAQDRGDQKYKXPM-UHFFFAOYSA-M
MW232.26 g/mol
LogP2.16
Rot. Bonds7

About di(butan-2-yloxy)alumanyl acetate

di(butan-2-yloxy)alumanyl acetate (PubChem CID 16707458) has the molecular formula C10H21AlO4 and a molecular weight of 232.26 g/mol. Its IUPAC name is di(butan-2-yloxy)alumanyl acetate.

Molecular Properties

Compound Namedi(butan-2-yloxy)alumanyl acetate
PubChem CID16707458
Molecular FormulaC10H21AlO4
Molecular Weight232.26 g/mol
Exact Mass232.13
IUPAC Namedi(butan-2-yloxy)alumanyl acetate
SMILESCCC(C)O[Al](OC(C)=O)OC(C)CC
InChIInChI=1S/2C4H9O.C2H4O2.Al/c2*1-3-4(2)5;1-2(3)4;/h2*4H,3H2,1-2H3;1H3,(H,3,4);/q2*-1;;+3/p-1
InChIKeyZAQDRGDQKYKXPM-UHFFFAOYSA-M
XLogP2.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze di(butan-2-yloxy)alumanyl acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of di(butan-2-yloxy)alumanyl acetate?
The IUPAC name of di(butan-2-yloxy)alumanyl acetate (CID 16707458) is di(butan-2-yloxy)alumanyl acetate.
What is the SMILES notation for di(butan-2-yloxy)alumanyl acetate?
The canonical SMILES for di(butan-2-yloxy)alumanyl acetate is CCC(C)O[Al](OC(C)=O)OC(C)CC.
What is the InChIKey of di(butan-2-yloxy)alumanyl acetate?
The InChIKey is ZAQDRGDQKYKXPM-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H9O.C2H4O2.Al/c2*1-3-4(2)5;1-2(3)4;/h2*4H,3H2,1-2H3;1H3,(H,3,4);/q2*-1;;+3/p-1.
What are the key properties of di(butan-2-yloxy)alumanyl acetate?
di(butan-2-yloxy)alumanyl acetate has a molecular weight of 232.26 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)alumanyl acetate is sourced from PubChem (CID 16707458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).