oxoalumanyl 2-ethylhexanoate

C8H15AlO3 — CID 16684068

IUPACoxoalumanyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O[Al]=O
InChIInChI=1S/C8H16O2.Al.O/c1-3-5-6-7(4-2)8(9)10;;/h7H,3-6H2,1-2H3,(H,9,10);;/q;+1;/p-1
InChIKeyMWWSKDRLCHIBAF-UHFFFAOYSA-M
MW186.19 g/mol
LogP1.71
Rot. Bonds6

About oxoalumanyl 2-ethylhexanoate

oxoalumanyl 2-ethylhexanoate (PubChem CID 16684068) has the molecular formula C8H15AlO3 and a molecular weight of 186.19 g/mol. Its IUPAC name is oxoalumanyl 2-ethylhexanoate.

Molecular Properties

Compound Nameoxoalumanyl 2-ethylhexanoate
PubChem CID16684068
Molecular FormulaC8H15AlO3
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC Nameoxoalumanyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O[Al]=O
InChIInChI=1S/C8H16O2.Al.O/c1-3-5-6-7(4-2)8(9)10;;/h7H,3-6H2,1-2H3,(H,9,10);;/q;+1;/p-1
InChIKeyMWWSKDRLCHIBAF-UHFFFAOYSA-M
XLogP1.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxoalumanyl 2-ethylhexanoate?
The IUPAC name of oxoalumanyl 2-ethylhexanoate (CID 16684068) is oxoalumanyl 2-ethylhexanoate.
What is the SMILES notation for oxoalumanyl 2-ethylhexanoate?
The canonical SMILES for oxoalumanyl 2-ethylhexanoate is CCCCC(CC)C(=O)O[Al]=O.
What is the InChIKey of oxoalumanyl 2-ethylhexanoate?
The InChIKey is MWWSKDRLCHIBAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.Al.O/c1-3-5-6-7(4-2)8(9)10;;/h7H,3-6H2,1-2H3,(H,9,10);;/q;+1;/p-1.
What are the key properties of oxoalumanyl 2-ethylhexanoate?
oxoalumanyl 2-ethylhexanoate has a molecular weight of 186.19 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxoalumanyl 2-ethylhexanoate is sourced from PubChem (CID 16684068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).