dimagnesium;hydride;octadecanoic acid;tetradecanoic acid

C32H68Mg2O4 — CID 174909227

IUPACdimagnesium;hydride;octadecanoic acid;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/C18H36O2.C14H28O2.2Mg.4H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;/h2-17H2,1H3,(H,19,20);2-13H2,1H3,(H,15,16);;;;;;/q;;2*+2;4*-1
InChIKeyNJDQKKZYBBCMPP-UHFFFAOYSA-N
MW565.50 g/mol
LogP10.79
Rot. Bonds28

About dimagnesium;hydride;octadecanoic acid;tetradecanoic acid

dimagnesium;hydride;octadecanoic acid;tetradecanoic acid (PubChem CID 174909227) has the molecular formula C32H68Mg2O4 and a molecular weight of 565.50 g/mol. Its IUPAC name is dimagnesium;hydride;octadecanoic acid;tetradecanoic acid.

Molecular Properties

Compound Namedimagnesium;hydride;octadecanoic acid;tetradecanoic acid
PubChem CID174909227
Molecular FormulaC32H68Mg2O4
Molecular Weight565.50 g/mol
Exact Mass564.48
IUPAC Namedimagnesium;hydride;octadecanoic acid;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/C18H36O2.C14H28O2.2Mg.4H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;/h2-17H2,1H3,(H,19,20);2-13H2,1H3,(H,15,16);;;;;;/q;;2*+2;4*-1
InChIKeyNJDQKKZYBBCMPP-UHFFFAOYSA-N
XLogP10.79
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.50
LogP ≤ 510.79
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

decamagnesium;hydride;bis(octadecanoic acid)
CID 173211528
undecamagnesium;pentakis(octadecanoic acid)
CID 173211480
nonamagnesium;pentadecakis(octadecanoic acid)
CID 173283309
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
calcium;hydride;nonacosanoic acid
CID 173321722
disodium;hydride;tetradecanoic acid
CID 175149200
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
calcium;hydride;tritriacontanoic acid
CID 173321714
disodium;hydride;icosanoic acid
CID 175560905

Frequently Asked Questions

What is the IUPAC name of dimagnesium;hydride;octadecanoic acid;tetradecanoic acid?
The IUPAC name of dimagnesium;hydride;octadecanoic acid;tetradecanoic acid (CID 174909227) is dimagnesium;hydride;octadecanoic acid;tetradecanoic acid.
What is the SMILES notation for dimagnesium;hydride;octadecanoic acid;tetradecanoic acid?
The canonical SMILES for dimagnesium;hydride;octadecanoic acid;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;hydride;octadecanoic acid;tetradecanoic acid?
The InChIKey is NJDQKKZYBBCMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C14H28O2.2Mg.4H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;;;;/h2-17H2,1H3,(H,19,20);2-13H2,1H3,(H,15,16);;;;;;/q;;2*+2;4*-1.
What are the key properties of dimagnesium;hydride;octadecanoic acid;tetradecanoic acid?
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid has a molecular weight of 565.50 g/mol, XLogP of 10.79, 28 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;hydride;octadecanoic acid;tetradecanoic acid is sourced from PubChem (CID 174909227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).