decamagnesium;hydride;bis(octadecanoic acid)

C36H92Mg10O4 — CID 173211528

IUPACdecamagnesium;hydride;bis(octadecanoic acid)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C18H36O2.10Mg.20H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*2-17H2,1H3,(H,19,20);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;10*+2;20*-1
InChIKeyYXFFFGFSXSIVGG-UHFFFAOYSA-N
MW832.18 g/mol
LogP11.11
Rot. Bonds32

About decamagnesium;hydride;bis(octadecanoic acid)

decamagnesium;hydride;bis(octadecanoic acid) (PubChem CID 173211528) has the molecular formula C36H92Mg10O4 and a molecular weight of 832.18 g/mol. Its IUPAC name is decamagnesium;hydride;bis(octadecanoic acid).

Molecular Properties

Compound Namedecamagnesium;hydride;bis(octadecanoic acid)
PubChem CID173211528
Molecular FormulaC36H92Mg10O4
Molecular Weight832.18 g/mol
Exact Mass828.55
IUPAC Namedecamagnesium;hydride;bis(octadecanoic acid)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/2C18H36O2.10Mg.20H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*2-17H2,1H3,(H,19,20);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;10*+2;20*-1
InChIKeyYXFFFGFSXSIVGG-UHFFFAOYSA-N
XLogP11.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.18
LogP ≤ 511.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
nonamagnesium;pentadecakis(octadecanoic acid)
CID 173283309
undecamagnesium;pentakis(octadecanoic acid)
CID 173211480
calcium;hydride;tritriacontanoic acid
CID 173321714
calcium;hydride;nonacosanoic acid
CID 173321722
disodium;hydride;tetradecanoic acid
CID 175149200
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
barium(2+);hydride;tridecanoic acid
CID 174792677
calcium;hydride;bis(octanoic acid)
CID 174951959
sodium;dodecanoic acid;hydride
CID 173060618
calcium;dodecanoic acid;hydride
CID 172998116
disodium;hydride;icosanoic acid
CID 175560905

Frequently Asked Questions

What is the IUPAC name of decamagnesium;hydride;bis(octadecanoic acid)?
The IUPAC name of decamagnesium;hydride;bis(octadecanoic acid) (CID 173211528) is decamagnesium;hydride;bis(octadecanoic acid).
What is the SMILES notation for decamagnesium;hydride;bis(octadecanoic acid)?
The canonical SMILES for decamagnesium;hydride;bis(octadecanoic acid) is CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of decamagnesium;hydride;bis(octadecanoic acid)?
The InChIKey is YXFFFGFSXSIVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H36O2.10Mg.20H/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*2-17H2,1H3,(H,19,20);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;10*+2;20*-1.
What are the key properties of decamagnesium;hydride;bis(octadecanoic acid)?
decamagnesium;hydride;bis(octadecanoic acid) has a molecular weight of 832.18 g/mol, XLogP of 11.11, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decamagnesium;hydride;bis(octadecanoic acid) is sourced from PubChem (CID 173211528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).