dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)

C180H356Mg2O20 — CID 173319614

IUPACdimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/10C18H36O2.2Mg/c10*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h10*2-17H2,1H3,(H,19,20);;/q;;;;;;;;;;2*+2/p-4
InChIKeyQYMUAXDHLHKAEC-UHFFFAOYSA-J
MW2889.42 g/mol
LogP57.22
Rot. Bonds160

About dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)

dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid) (PubChem CID 173319614) has the molecular formula C180H356Mg2O20 and a molecular weight of 2889.42 g/mol. Its IUPAC name is dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid).

Molecular Properties

Compound Namedimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)
PubChem CID173319614
Molecular FormulaC180H356Mg2O20
Molecular Weight2889.42 g/mol
Exact Mass2886.65
IUPAC Namedimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].[Mg+2]
InChIInChI=1S/10C18H36O2.2Mg/c10*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h10*2-17H2,1H3,(H,19,20);;/q;;;;;;;;;;2*+2/p-4
InChIKeyQYMUAXDHLHKAEC-UHFFFAOYSA-J
XLogP57.22
TPSA384.32 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds160
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002889.42
LogP ≤ 557.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

magnesium;bis(octadecanoate);octadecanoic acid
CID 158576428
strontium;bis(octadecanoate);octadecanoic acid
CID 159373393
sodium;docosanoic acid;octadecanoate
CID 174660155
sodium;decanoic acid;dodecanoate
CID 159389890
sodium;hexadecanoate;hexadecanoic acid
CID 159365282
disodium;decanoic acid;bis(octanoate)
CID 158676910
calcium;bis(octadecanoate);bis(octadecanoic acid);hydrate
CID 174978246
disilver;octadecanoic acid;pentanedioate
CID 23440543
potassium;hexanoate;hexanoic acid
CID 175726310
aluminum;tris(hexanoate);nonadecakis(hexanoic acid)
CID 175347861
magnesium bis(undecanoate)
CID 87902169
dimagnesium;octadecanoate
CID 19105820

Frequently Asked Questions

What is the IUPAC name of dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)?
The IUPAC name of dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid) (CID 173319614) is dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid).
What is the SMILES notation for dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)?
The canonical SMILES for dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid) is CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)?
The InChIKey is QYMUAXDHLHKAEC-UHFFFAOYSA-J. The full InChI is InChI=1S/10C18H36O2.2Mg/c10*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h10*2-17H2,1H3,(H,19,20);;/q;;;;;;;;;;2*+2/p-4.
What are the key properties of dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid)?
dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid) has a molecular weight of 2889.42 g/mol, XLogP of 57.22, 160 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;tetrakis(octadecanoate);hexakis(octadecanoic acid) is sourced from PubChem (CID 173319614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).