[propanoyloxy(propan-2-yloxy)alumanyl] propanoate

C9H17AlO5 — CID 16707462

IUPAC[propanoyloxy(propan-2-yloxy)alumanyl] propanoate
SMILESCCC(=O)O[Al](OC(=O)CC)OC(C)C
InChIInChI=1S/2C3H6O2.C3H7O.Al/c2*1-2-3(4)5;1-3(2)4;/h2*2H2,1H3,(H,4,5);3H,1-2H3;/q;;-1;+3/p-2
InChIKeyZQPKQECFWPVIHR-UHFFFAOYSA-L
MW232.21 g/mol
LogP1.30
Rot. Bonds6

About [propanoyloxy(propan-2-yloxy)alumanyl] propanoate

[propanoyloxy(propan-2-yloxy)alumanyl] propanoate (PubChem CID 16707462) has the molecular formula C9H17AlO5 and a molecular weight of 232.21 g/mol. Its IUPAC name is [propanoyloxy(propan-2-yloxy)alumanyl] propanoate.

Molecular Properties

Compound Name[propanoyloxy(propan-2-yloxy)alumanyl] propanoate
PubChem CID16707462
Molecular FormulaC9H17AlO5
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name[propanoyloxy(propan-2-yloxy)alumanyl] propanoate
SMILESCCC(=O)O[Al](OC(=O)CC)OC(C)C
InChIInChI=1S/2C3H6O2.C3H7O.Al/c2*1-2-3(4)5;1-3(2)4;/h2*2H2,1H3,(H,4,5);3H,1-2H3;/q;;-1;+3/p-2
InChIKeyZQPKQECFWPVIHR-UHFFFAOYSA-L
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [propanoyloxy(propan-2-yloxy)alumanyl] propanoate?
The IUPAC name of [propanoyloxy(propan-2-yloxy)alumanyl] propanoate (CID 16707462) is [propanoyloxy(propan-2-yloxy)alumanyl] propanoate.
What is the SMILES notation for [propanoyloxy(propan-2-yloxy)alumanyl] propanoate?
The canonical SMILES for [propanoyloxy(propan-2-yloxy)alumanyl] propanoate is CCC(=O)O[Al](OC(=O)CC)OC(C)C.
What is the InChIKey of [propanoyloxy(propan-2-yloxy)alumanyl] propanoate?
The InChIKey is ZQPKQECFWPVIHR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6O2.C3H7O.Al/c2*1-2-3(4)5;1-3(2)4;/h2*2H2,1H3,(H,4,5);3H,1-2H3;/q;;-1;+3/p-2.
What are the key properties of [propanoyloxy(propan-2-yloxy)alumanyl] propanoate?
[propanoyloxy(propan-2-yloxy)alumanyl] propanoate has a molecular weight of 232.21 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [propanoyloxy(propan-2-yloxy)alumanyl] propanoate is sourced from PubChem (CID 16707462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).