[acetyloxy(butan-2-yloxy)alumanyl] acetate

C8H15AlO5 — CID 16705346

IUPAC[acetyloxy(butan-2-yloxy)alumanyl] acetate
SMILESCCC(C)O[Al](OC(C)=O)OC(C)=O
InChIInChI=1S/C4H9O.2C2H4O2.Al/c1-3-4(2)5;2*1-2(3)4;/h4H,3H2,1-2H3;2*1H3,(H,3,4);/q-1;;;+3/p-2
InChIKeyZIVGBFDVVFQHQL-UHFFFAOYSA-L
MW218.18 g/mol
LogP0.91
Rot. Bonds5

About [acetyloxy(butan-2-yloxy)alumanyl] acetate

[acetyloxy(butan-2-yloxy)alumanyl] acetate (PubChem CID 16705346) has the molecular formula C8H15AlO5 and a molecular weight of 218.18 g/mol. Its IUPAC name is [acetyloxy(butan-2-yloxy)alumanyl] acetate.

Molecular Properties

Compound Name[acetyloxy(butan-2-yloxy)alumanyl] acetate
PubChem CID16705346
Molecular FormulaC8H15AlO5
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name[acetyloxy(butan-2-yloxy)alumanyl] acetate
SMILESCCC(C)O[Al](OC(C)=O)OC(C)=O
InChIInChI=1S/C4H9O.2C2H4O2.Al/c1-3-4(2)5;2*1-2(3)4;/h4H,3H2,1-2H3;2*1H3,(H,3,4);/q-1;;;+3/p-2
InChIKeyZIVGBFDVVFQHQL-UHFFFAOYSA-L
XLogP0.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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

CID 16689707
CID 16689707
CID 22743488
CID 22743488
CID 14367596
CID 14367596
CID 16698875
CID 16698875
CID 16707457
CID 16707457
CID 16707458
CID 16707458
CID 16707460
CID 16707460
CID 16707462
CID 16707462
CID 16707463
CID 16707463
CID 16713076
CID 16713076
CID 17997466
CID 17997466
CID 17997491
CID 17997491

Frequently Asked Questions

What is the IUPAC name of [acetyloxy(butan-2-yloxy)alumanyl] acetate?
The IUPAC name of [acetyloxy(butan-2-yloxy)alumanyl] acetate (CID 16705346) is [acetyloxy(butan-2-yloxy)alumanyl] acetate.
What is the SMILES notation for [acetyloxy(butan-2-yloxy)alumanyl] acetate?
The canonical SMILES for [acetyloxy(butan-2-yloxy)alumanyl] acetate is CCC(C)O[Al](OC(C)=O)OC(C)=O.
What is the InChIKey of [acetyloxy(butan-2-yloxy)alumanyl] acetate?
The InChIKey is ZIVGBFDVVFQHQL-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9O.2C2H4O2.Al/c1-3-4(2)5;2*1-2(3)4;/h4H,3H2,1-2H3;2*1H3,(H,3,4);/q-1;;;+3/p-2.
What are the key properties of [acetyloxy(butan-2-yloxy)alumanyl] acetate?
[acetyloxy(butan-2-yloxy)alumanyl] acetate has a molecular weight of 218.18 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(butan-2-yloxy)alumanyl] acetate is sourced from PubChem (CID 16705346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).