[ethoxy(propanoyloxy)alumanyl] propanoate

C8H15AlO5 — CID 88665930

IUPAC[ethoxy(propanoyloxy)alumanyl] propanoate
SMILESCCO[Al](OC(=O)CC)OC(=O)CC
InChIInChI=1S/2C3H6O2.C2H5O.Al/c2*1-2-3(4)5;1-2-3;/h2*2H2,1H3,(H,4,5);2H2,1H3;/q;;-1;+3/p-2
InChIKeyBBJMLIDFBCGXGV-UHFFFAOYSA-L
MW218.18 g/mol
LogP0.91
Rot. Bonds6

About [ethoxy(propanoyloxy)alumanyl] propanoate

[ethoxy(propanoyloxy)alumanyl] propanoate (PubChem CID 88665930) has the molecular formula C8H15AlO5 and a molecular weight of 218.18 g/mol. Its IUPAC name is [ethoxy(propanoyloxy)alumanyl] propanoate.

Molecular Properties

Compound Name[ethoxy(propanoyloxy)alumanyl] propanoate
PubChem CID88665930
Molecular FormulaC8H15AlO5
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name[ethoxy(propanoyloxy)alumanyl] propanoate
SMILESCCO[Al](OC(=O)CC)OC(=O)CC
InChIInChI=1S/2C3H6O2.C2H5O.Al/c2*1-2-3(4)5;1-2-3;/h2*2H2,1H3,(H,4,5);2H2,1H3;/q;;-1;+3/p-2
InChIKeyBBJMLIDFBCGXGV-UHFFFAOYSA-L
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

di(propanoyloxy)alumanyl propanoate
CID 16703977
propanoyl (113C)propanoate
CID 91179573
CID 87119276
CID 87119276
ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
calcium;ethyl propanoate;hydride
CID 173132885
ethyl propanoate;tin(2+);dichloride
CID 171374953
CID 59894625
CID 59894625
propanoyloxy-λ2-stannane
CID 173456890
methyl propanoate;dihydrochloride
CID 140968159
CID 87773794
CID 87773794

Frequently Asked Questions

What is the IUPAC name of [ethoxy(propanoyloxy)alumanyl] propanoate?
The IUPAC name of [ethoxy(propanoyloxy)alumanyl] propanoate (CID 88665930) is [ethoxy(propanoyloxy)alumanyl] propanoate.
What is the SMILES notation for [ethoxy(propanoyloxy)alumanyl] propanoate?
The canonical SMILES for [ethoxy(propanoyloxy)alumanyl] propanoate is CCO[Al](OC(=O)CC)OC(=O)CC.
What is the InChIKey of [ethoxy(propanoyloxy)alumanyl] propanoate?
The InChIKey is BBJMLIDFBCGXGV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6O2.C2H5O.Al/c2*1-2-3(4)5;1-2-3;/h2*2H2,1H3,(H,4,5);2H2,1H3;/q;;-1;+3/p-2.
What are the key properties of [ethoxy(propanoyloxy)alumanyl] propanoate?
[ethoxy(propanoyloxy)alumanyl] propanoate has a molecular weight of 218.18 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(propanoyloxy)alumanyl] propanoate is sourced from PubChem (CID 88665930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).