magnesium;alumane;docosaneperoxoic acid;hydride

C22H49AlMgO3 — CID 173369321

IUPACmagnesium;alumane;docosaneperoxoic acid;hydride
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OO.[AlH3].[H-].[H-].[Mg+2]
InChIInChI=1S/C22H44O3.Al.Mg.5H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)25-24;;;;;;;/h24H,2-21H2,1H3;;;;;;;/q;;+2;;;;2*-1
InChIKeyUYQXPKGJYLEWCD-UHFFFAOYSA-N
MW412.92 g/mol
LogP6.48
Rot. Bonds20

About magnesium;alumane;docosaneperoxoic acid;hydride

magnesium;alumane;docosaneperoxoic acid;hydride (PubChem CID 173369321) has the molecular formula C22H49AlMgO3 and a molecular weight of 412.92 g/mol. Its IUPAC name is magnesium;alumane;docosaneperoxoic acid;hydride.

Molecular Properties

Compound Namemagnesium;alumane;docosaneperoxoic acid;hydride
PubChem CID173369321
Molecular FormulaC22H49AlMgO3
Molecular Weight412.92 g/mol
Exact Mass412.33
IUPAC Namemagnesium;alumane;docosaneperoxoic acid;hydride
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OO.[AlH3].[H-].[H-].[Mg+2]
InChIInChI=1S/C22H44O3.Al.Mg.5H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)25-24;;;;;;;/h24H,2-21H2,1H3;;;;;;;/q;;+2;;;;2*-1
InChIKeyUYQXPKGJYLEWCD-UHFFFAOYSA-N
XLogP6.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

magnesium;alumane;hydride;octadecaneperoxoic acid
CID 173057605
lithium;hydride;octadecaneperoxoic acid
CID 173037900
tetradecaneperoxoic acid;titanium
CID 87908201
butaneperoxoic acid;octadecaneperoxoic acid
CID 175012796
hydroxy(dimethyl)silane;octadecaneperoxoic acid
CID 175440120
butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid
CID 175089027
dimagnesium;hydride;octanoyl nonanoate
CID 173350216
alumane;hexanediperoxoic acid
CID 173462864
hexane-1,2,3,4,5,6-hexol;octadecaneperoxoic acid
CID 174464487
6-(decylamino)-6-oxohexaneperoxoic acid
CID 159894455
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
dodecanoyl dodecanoate;ethanol
CID 157135932

Frequently Asked Questions

What is the IUPAC name of magnesium;alumane;docosaneperoxoic acid;hydride?
The IUPAC name of magnesium;alumane;docosaneperoxoic acid;hydride (CID 173369321) is magnesium;alumane;docosaneperoxoic acid;hydride.
What is the SMILES notation for magnesium;alumane;docosaneperoxoic acid;hydride?
The canonical SMILES for magnesium;alumane;docosaneperoxoic acid;hydride is CCCCCCCCCCCCCCCCCCCCCC(=O)OO.[AlH3].[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;alumane;docosaneperoxoic acid;hydride?
The InChIKey is UYQXPKGJYLEWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O3.Al.Mg.5H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)25-24;;;;;;;/h24H,2-21H2,1H3;;;;;;;/q;;+2;;;;2*-1.
What are the key properties of magnesium;alumane;docosaneperoxoic acid;hydride?
magnesium;alumane;docosaneperoxoic acid;hydride has a molecular weight of 412.92 g/mol, XLogP of 6.48, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;alumane;docosaneperoxoic acid;hydride is sourced from PubChem (CID 173369321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).