di(propan-2-yloxy)alumanyl acetate

C8H17AlO4 — CID 16698875

IUPACdi(propan-2-yloxy)alumanyl acetate
SMILESCC(=O)O[Al](OC(C)C)OC(C)C
InChIInChI=1S/2C3H7O.C2H4O2.Al/c2*1-3(2)4;1-2(3)4;/h2*3H,1-2H3;1H3,(H,3,4);/q2*-1;;+3/p-1
InChIKeyHJFUUQISSHZQRS-UHFFFAOYSA-M
MW204.20 g/mol
LogP1.38
Rot. Bonds5

About di(propan-2-yloxy)alumanyl acetate

di(propan-2-yloxy)alumanyl acetate (PubChem CID 16698875) has the molecular formula C8H17AlO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is di(propan-2-yloxy)alumanyl acetate.

Molecular Properties

Compound Namedi(propan-2-yloxy)alumanyl acetate
PubChem CID16698875
Molecular FormulaC8H17AlO4
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Namedi(propan-2-yloxy)alumanyl acetate
SMILESCC(=O)O[Al](OC(C)C)OC(C)C
InChIInChI=1S/2C3H7O.C2H4O2.Al/c2*1-3(2)4;1-2(3)4;/h2*3H,1-2H3;1H3,(H,3,4);/q2*-1;;+3/p-1
InChIKeyHJFUUQISSHZQRS-UHFFFAOYSA-M
XLogP1.38
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Di(butan-2-yloxy)alumanylium;2,2,2-trifluoroacetate
CID 21889646
Di(butan-2-yloxy)alumanyl 2,2,2-trifluoroacetate
CID 145788076
Magnesium bis((acetato-O)tris(propan-2-olato)aluminate)
CID 75124245
Diacetoxydiisopropoxysilane
CID 3493623
Tri(propan-2-yloxy)silyl acetate
CID 14144412
Tri(butan-2-yloxy)silyl acetate
CID 14144419
Tris(propan-2-olate);titanium(4+);acetate
CID 14367596
[Acetyloxy(butan-2-yloxy)alumanyl] acetate
CID 16705346
Dipropoxyalumanyl acetate
CID 16707457
Di(butan-2-yloxy)alumanyl acetate
CID 16707458
[Acetyloxy(propan-2-yloxy)alumanyl] acetate
CID 16707460
[Propanoyloxy(propan-2-yloxy)alumanyl] propanoate
CID 16707462

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)alumanyl acetate?
The IUPAC name of di(propan-2-yloxy)alumanyl acetate (CID 16698875) is di(propan-2-yloxy)alumanyl acetate.
What is the SMILES notation for di(propan-2-yloxy)alumanyl acetate?
The canonical SMILES for di(propan-2-yloxy)alumanyl acetate is CC(=O)O[Al](OC(C)C)OC(C)C.
What is the InChIKey of di(propan-2-yloxy)alumanyl acetate?
The InChIKey is HJFUUQISSHZQRS-UHFFFAOYSA-M. The full InChI is InChI=1S/2C3H7O.C2H4O2.Al/c2*1-3(2)4;1-2(3)4;/h2*3H,1-2H3;1H3,(H,3,4);/q2*-1;;+3/p-1.
What are the key properties of di(propan-2-yloxy)alumanyl acetate?
di(propan-2-yloxy)alumanyl acetate has a molecular weight of 204.20 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)alumanyl acetate is sourced from PubChem (CID 16698875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).