dipropoxyalumanyl acetate

C8H17AlO4 — CID 16707457

IUPACdipropoxyalumanyl acetate
SMILESCCCO[Al](OCCC)OC(C)=O
InChIInChI=1S/2C3H7O.C2H4O2.Al/c2*1-2-3-4;1-2(3)4;/h2*2-3H2,1H3;1H3,(H,3,4);/q2*-1;;+3/p-1
InChIKeySQORCTAZNBFGFJ-UHFFFAOYSA-M
MW204.20 g/mol
LogP1.39
Rot. Bonds7

About dipropoxyalumanyl acetate

dipropoxyalumanyl acetate (PubChem CID 16707457) has the molecular formula C8H17AlO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is dipropoxyalumanyl acetate.

Molecular Properties

Compound Namedipropoxyalumanyl acetate
PubChem CID16707457
Molecular FormulaC8H17AlO4
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Namedipropoxyalumanyl acetate
SMILESCCCO[Al](OCCC)OC(C)=O
InChIInChI=1S/2C3H7O.C2H4O2.Al/c2*1-2-3-4;1-2(3)4;/h2*2-3H2,1H3;1H3,(H,3,4);/q2*-1;;+3/p-1
InChIKeySQORCTAZNBFGFJ-UHFFFAOYSA-M
XLogP1.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dipropoxyalumanyl acetate?
The IUPAC name of dipropoxyalumanyl acetate (CID 16707457) is dipropoxyalumanyl acetate.
What is the SMILES notation for dipropoxyalumanyl acetate?
The canonical SMILES for dipropoxyalumanyl acetate is CCCO[Al](OCCC)OC(C)=O.
What is the InChIKey of dipropoxyalumanyl acetate?
The InChIKey is SQORCTAZNBFGFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C3H7O.C2H4O2.Al/c2*1-2-3-4;1-2(3)4;/h2*2-3H2,1H3;1H3,(H,3,4);/q2*-1;;+3/p-1.
What are the key properties of dipropoxyalumanyl acetate?
dipropoxyalumanyl acetate has a molecular weight of 204.20 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxyalumanyl acetate is sourced from PubChem (CID 16707457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).