dimagnesium;hydride;octanoyl nonanoate

C17H36Mg2O3 — CID 173350216

IUPACdimagnesium;hydride;octanoyl nonanoate
SMILESCCCCCCCCC(=O)OC(=O)CCCCCCC.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/C17H32O3.2Mg.4H/c1-3-5-7-9-11-13-15-17(19)20-16(18)14-12-10-8-6-4-2;;;;;;/h3-15H2,1-2H3;;;;;;/q;2*+2;4*-1
InChIKeyLIHQAKIXJZMYGD-UHFFFAOYSA-N
MW337.08 g/mol
LogP4.86
Rot. Bonds13

About dimagnesium;hydride;octanoyl nonanoate

dimagnesium;hydride;octanoyl nonanoate (PubChem CID 173350216) has the molecular formula C17H36Mg2O3 and a molecular weight of 337.08 g/mol. Its IUPAC name is dimagnesium;hydride;octanoyl nonanoate.

Molecular Properties

Compound Namedimagnesium;hydride;octanoyl nonanoate
PubChem CID173350216
Molecular FormulaC17H36Mg2O3
Molecular Weight337.08 g/mol
Exact Mass336.24
IUPAC Namedimagnesium;hydride;octanoyl nonanoate
SMILESCCCCCCCCC(=O)OC(=O)CCCCCCC.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2]
InChIInChI=1S/C17H32O3.2Mg.4H/c1-3-5-7-9-11-13-15-17(19)20-16(18)14-12-10-8-6-4-2;;;;;;/h3-15H2,1-2H3;;;;;;/q;2*+2;4*-1
InChIKeyLIHQAKIXJZMYGD-UHFFFAOYSA-N
XLogP4.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.08
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
sodium;hydride;octanoyl octadecanoate
CID 173299765
pentadecanoyl hexadecanoate
CID 87499774
henicosanoyl docosanoate
CID 175302110
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
dodecanoyl dodecanoate;ethanol
CID 157135932
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587

Frequently Asked Questions

What is the IUPAC name of dimagnesium;hydride;octanoyl nonanoate?
The IUPAC name of dimagnesium;hydride;octanoyl nonanoate (CID 173350216) is dimagnesium;hydride;octanoyl nonanoate.
What is the SMILES notation for dimagnesium;hydride;octanoyl nonanoate?
The canonical SMILES for dimagnesium;hydride;octanoyl nonanoate is CCCCCCCCC(=O)OC(=O)CCCCCCC.[H-].[H-].[H-].[H-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;hydride;octanoyl nonanoate?
The InChIKey is LIHQAKIXJZMYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3.2Mg.4H/c1-3-5-7-9-11-13-15-17(19)20-16(18)14-12-10-8-6-4-2;;;;;;/h3-15H2,1-2H3;;;;;;/q;2*+2;4*-1.
What are the key properties of dimagnesium;hydride;octanoyl nonanoate?
dimagnesium;hydride;octanoyl nonanoate has a molecular weight of 337.08 g/mol, XLogP of 4.86, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;hydride;octanoyl nonanoate is sourced from PubChem (CID 173350216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).