magnesium;alumane;hydride;octadecaneperoxoic acid

C18H41AlMgO3 — CID 173057605

IUPACmagnesium;alumane;hydride;octadecaneperoxoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)OO.[AlH3].[H-].[H-].[Mg+2]
InChIInChI=1S/C18H36O3.Al.Mg.5H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20;;;;;;;/h20H,2-17H2,1H3;;;;;;;/q;;+2;;;;2*-1
InChIKeyZERVVMBRLKKBKU-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.92
Rot. Bonds16

About magnesium;alumane;hydride;octadecaneperoxoic acid

magnesium;alumane;hydride;octadecaneperoxoic acid (PubChem CID 173057605) has the molecular formula C18H41AlMgO3 and a molecular weight of 356.81 g/mol. Its IUPAC name is magnesium;alumane;hydride;octadecaneperoxoic acid.

Molecular Properties

Compound Namemagnesium;alumane;hydride;octadecaneperoxoic acid
PubChem CID173057605
Molecular FormulaC18H41AlMgO3
Molecular Weight356.81 g/mol
Exact Mass356.27
IUPAC Namemagnesium;alumane;hydride;octadecaneperoxoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)OO.[AlH3].[H-].[H-].[Mg+2]
InChIInChI=1S/C18H36O3.Al.Mg.5H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20;;;;;;;/h20H,2-17H2,1H3;;;;;;;/q;;+2;;;;2*-1
InChIKeyZERVVMBRLKKBKU-UHFFFAOYSA-N
XLogP4.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.92
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'}

Analyze magnesium;alumane;hydride;octadecaneperoxoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;alumane;docosaneperoxoic acid;hydride
CID 173369321
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;hydride;octadecaneperoxoic acid?
The IUPAC name of magnesium;alumane;hydride;octadecaneperoxoic acid (CID 173057605) is magnesium;alumane;hydride;octadecaneperoxoic acid.
What is the SMILES notation for magnesium;alumane;hydride;octadecaneperoxoic acid?
The canonical SMILES for magnesium;alumane;hydride;octadecaneperoxoic acid is CCCCCCCCCCCCCCCCCC(=O)OO.[AlH3].[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;alumane;hydride;octadecaneperoxoic acid?
The InChIKey is ZERVVMBRLKKBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3.Al.Mg.5H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)21-20;;;;;;;/h20H,2-17H2,1H3;;;;;;;/q;;+2;;;;2*-1.
What are the key properties of magnesium;alumane;hydride;octadecaneperoxoic acid?
magnesium;alumane;hydride;octadecaneperoxoic acid has a molecular weight of 356.81 g/mol, XLogP of 4.92, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;alumane;hydride;octadecaneperoxoic acid is sourced from PubChem (CID 173057605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).