di(propanoyloxy)alumanyl propanoate

C9H15AlO6 — CID 16703977

IUPACdi(propanoyloxy)alumanyl propanoate
SMILESCCC(=O)O[Al](OC(=O)CC)OC(=O)CC
InChIInChI=1S/3C3H6O2.Al/c3*1-2-3(4)5;/h3*2H2,1H3,(H,4,5);/q;;;+3/p-3
InChIKeyDMGNPLVEZUUCBT-UHFFFAOYSA-K
MW246.19 g/mol
LogP0.83
Rot. Bonds6

About di(propanoyloxy)alumanyl propanoate

di(propanoyloxy)alumanyl propanoate (PubChem CID 16703977) has the molecular formula C9H15AlO6 and a molecular weight of 246.19 g/mol. Its IUPAC name is di(propanoyloxy)alumanyl propanoate.

Molecular Properties

Compound Namedi(propanoyloxy)alumanyl propanoate
PubChem CID16703977
Molecular FormulaC9H15AlO6
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Namedi(propanoyloxy)alumanyl propanoate
SMILESCCC(=O)O[Al](OC(=O)CC)OC(=O)CC
InChIInChI=1S/3C3H6O2.Al/c3*1-2-3(4)5;/h3*2H2,1H3,(H,4,5);/q;;;+3/p-3
InChIKeyDMGNPLVEZUUCBT-UHFFFAOYSA-K
XLogP0.83
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of di(propanoyloxy)alumanyl propanoate?
The IUPAC name of di(propanoyloxy)alumanyl propanoate (CID 16703977) is di(propanoyloxy)alumanyl propanoate.
What is the SMILES notation for di(propanoyloxy)alumanyl propanoate?
The canonical SMILES for di(propanoyloxy)alumanyl propanoate is CCC(=O)O[Al](OC(=O)CC)OC(=O)CC.
What is the InChIKey of di(propanoyloxy)alumanyl propanoate?
The InChIKey is DMGNPLVEZUUCBT-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H6O2.Al/c3*1-2-3(4)5;/h3*2H2,1H3,(H,4,5);/q;;;+3/p-3.
What are the key properties of di(propanoyloxy)alumanyl propanoate?
di(propanoyloxy)alumanyl propanoate has a molecular weight of 246.19 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for di(propanoyloxy)alumanyl propanoate is sourced from PubChem (CID 16703977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).