[acetyloxy(ethyl)alumanyl] acetate

C6H11AlO4 — CID 139645372

IUPAC[acetyloxy(ethyl)alumanyl] acetate
SMILESCC[Al](OC(C)=O)OC(C)=O
InChIInChI=1S/2C2H4O2.C2H5.Al/c2*1-2(3)4;1-2;/h2*1H3,(H,3,4);1H2,2H3;/q;;;+2/p-2
InChIKeyHNXNSBNVECAGGH-UHFFFAOYSA-L
MW174.13 g/mol
LogP0.62
Rot. Bonds3

About [acetyloxy(ethyl)alumanyl] acetate

[acetyloxy(ethyl)alumanyl] acetate (PubChem CID 139645372) has the molecular formula C6H11AlO4 and a molecular weight of 174.13 g/mol. Its IUPAC name is [acetyloxy(ethyl)alumanyl] acetate.

Molecular Properties

Compound Name[acetyloxy(ethyl)alumanyl] acetate
PubChem CID139645372
Molecular FormulaC6H11AlO4
Molecular Weight174.13 g/mol
Exact Mass174.05
IUPAC Name[acetyloxy(ethyl)alumanyl] acetate
SMILESCC[Al](OC(C)=O)OC(C)=O
InChIInChI=1S/2C2H4O2.C2H5.Al/c2*1-2(3)4;1-2;/h2*1H3,(H,3,4);1H2,2H3;/q;;;+2/p-2
InChIKeyHNXNSBNVECAGGH-UHFFFAOYSA-L
XLogP0.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;diacetyloxyalumanyl acetate;hydride
CID 23708319
CID 157409555
CID 157409555
diacetyloxysilyl acetate;triethyl(methyl)azanium
CID 173168516
1-hydroxypropyl acetate
CID 21275092
acetyloxy-ethyl-dimethylazanium
CID 147551932
2-acetyloxyethyl(triethyl)azanium bromide
CID 24833373
ethyl acetate;triethyl(hydroxymethyl)azanium
CID 87142545
propane;propan-2-one
CID 90822370
ethyl acetate;tetrahydrate
CID 173019761
ethyl acetate;λ2-plumbane
CID 173068495
amino acetate;butane
CID 90344227
ethyl acetate;dihydrochloride
CID 21477582

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(ethyl)alumanyl] acetate?
The IUPAC name of [acetyloxy(ethyl)alumanyl] acetate (CID 139645372) is [acetyloxy(ethyl)alumanyl] acetate.
What is the SMILES notation for [acetyloxy(ethyl)alumanyl] acetate?
The canonical SMILES for [acetyloxy(ethyl)alumanyl] acetate is CC[Al](OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy(ethyl)alumanyl] acetate?
The InChIKey is HNXNSBNVECAGGH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.C2H5.Al/c2*1-2(3)4;1-2;/h2*1H3,(H,3,4);1H2,2H3;/q;;;+2/p-2.
What are the key properties of [acetyloxy(ethyl)alumanyl] acetate?
[acetyloxy(ethyl)alumanyl] acetate has a molecular weight of 174.13 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(ethyl)alumanyl] acetate is sourced from PubChem (CID 139645372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).