2-ethylhexylaluminum(2+) diphenoxide

C20H27AlO2 — CID 19766079

IUPAC2-ethylhexylaluminum(2+) diphenoxide
SMILESCCCCC(CC)C[Al+2].[O-]c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/C8H17.2C6H6O.Al/c1-4-6-7-8(3)5-2;2*7-6-4-2-1-3-5-6;/h8H,3-7H2,1-2H3;2*1-5,7H;/q;;;+2/p-2
InChIKeyVZTNEMZGXMLVOP-UHFFFAOYSA-L
MW326.42 g/mol
LogP4.31
Rot. Bonds5

About 2-ethylhexylaluminum(2+) diphenoxide

2-ethylhexylaluminum(2+) diphenoxide (PubChem CID 19766079) has the molecular formula C20H27AlO2 and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-ethylhexylaluminum(2+) diphenoxide.

Molecular Properties

Compound Name2-ethylhexylaluminum(2+) diphenoxide
PubChem CID19766079
Molecular FormulaC20H27AlO2
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-ethylhexylaluminum(2+) diphenoxide
SMILESCCCCC(CC)C[Al+2].[O-]c1ccccc1.[O-]c1ccccc1
InChIInChI=1S/C8H17.2C6H6O.Al/c1-4-6-7-8(3)5-2;2*7-6-4-2-1-3-5-6;/h8H,3-7H2,1-2H3;2*1-5,7H;/q;;;+2/p-2
InChIKeyVZTNEMZGXMLVOP-UHFFFAOYSA-L
XLogP4.31
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
CID 174494301
CID 174494301
N-(2-ethylhexyl)-3-phenylcyclobutan-1-amine
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(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
4-ethyl-1-phenyloctan-1-one
CID 63399594
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
benzyl-bis(2-ethylhexyl)-methylazanium
CID 21149842
3-ethylundecylbenzene
CID 101046196
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
5-ethyl-1-phenylnonan-3-amine
CID 63417135

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexylaluminum(2+) diphenoxide?
The IUPAC name of 2-ethylhexylaluminum(2+) diphenoxide (CID 19766079) is 2-ethylhexylaluminum(2+) diphenoxide.
What is the SMILES notation for 2-ethylhexylaluminum(2+) diphenoxide?
The canonical SMILES for 2-ethylhexylaluminum(2+) diphenoxide is CCCCC(CC)C[Al+2].[O-]c1ccccc1.[O-]c1ccccc1.
What is the InChIKey of 2-ethylhexylaluminum(2+) diphenoxide?
The InChIKey is VZTNEMZGXMLVOP-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H17.2C6H6O.Al/c1-4-6-7-8(3)5-2;2*7-6-4-2-1-3-5-6;/h8H,3-7H2,1-2H3;2*1-5,7H;/q;;;+2/p-2.
What are the key properties of 2-ethylhexylaluminum(2+) diphenoxide?
2-ethylhexylaluminum(2+) diphenoxide has a molecular weight of 326.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexylaluminum(2+) diphenoxide is sourced from PubChem (CID 19766079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).