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

C7H13AlO5 — CID 16707460

IUPAC[acetyloxy(propan-2-yloxy)alumanyl] acetate
SMILESCC(=O)O[Al](OC(C)=O)OC(C)C
InChIInChI=1S/C3H7O.2C2H4O2.Al/c1-3(2)4;2*1-2(3)4;/h3H,1-2H3;2*1H3,(H,3,4);/q-1;;;+3/p-2
InChIKeyAUVBZGUZATVAEX-UHFFFAOYSA-L
MW204.16 g/mol
LogP0.52
Rot. Bonds4

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

[acetyloxy(propan-2-yloxy)alumanyl] acetate (PubChem CID 16707460) has the molecular formula C7H13AlO5 and a molecular weight of 204.16 g/mol. Its IUPAC name is [acetyloxy(propan-2-yloxy)alumanyl] acetate.

Molecular Properties

Compound Name[acetyloxy(propan-2-yloxy)alumanyl] acetate
PubChem CID16707460
Molecular FormulaC7H13AlO5
Molecular Weight204.16 g/mol
Exact Mass204.06
IUPAC Name[acetyloxy(propan-2-yloxy)alumanyl] acetate
SMILESCC(=O)O[Al](OC(C)=O)OC(C)C
InChIInChI=1S/C3H7O.2C2H4O2.Al/c1-3(2)4;2*1-2(3)4;/h3H,1-2H3;2*1H3,(H,3,4);/q-1;;;+3/p-2
InChIKeyAUVBZGUZATVAEX-UHFFFAOYSA-L
XLogP0.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy(propan-2-yloxy)alumanyl] acetate?
The IUPAC name of [acetyloxy(propan-2-yloxy)alumanyl] acetate (CID 16707460) is [acetyloxy(propan-2-yloxy)alumanyl] acetate.
What is the SMILES notation for [acetyloxy(propan-2-yloxy)alumanyl] acetate?
The canonical SMILES for [acetyloxy(propan-2-yloxy)alumanyl] acetate is CC(=O)O[Al](OC(C)=O)OC(C)C.
What is the InChIKey of [acetyloxy(propan-2-yloxy)alumanyl] acetate?
The InChIKey is AUVBZGUZATVAEX-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O.2C2H4O2.Al/c1-3(2)4;2*1-2(3)4;/h3H,1-2H3;2*1H3,(H,3,4);/q-1;;;+3/p-2.
What are the key properties of [acetyloxy(propan-2-yloxy)alumanyl] acetate?
[acetyloxy(propan-2-yloxy)alumanyl] acetate has a molecular weight of 204.16 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(propan-2-yloxy)alumanyl] acetate is sourced from PubChem (CID 16707460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).