undecamagnesium;pentakis(octadecanoic acid)

C90H180Mg11O10+22 — CID 173211480

IUPACundecamagnesium;pentakis(octadecanoic acid)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/5C18H36O2.11Mg/c5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;;;;;/h5*2-17H2,1H3,(H,19,20);;;;;;;;;;;/q;;;;;11*+2
InChIKeyJZWRNQTVEBONDQ-UHFFFAOYSA-N
MW1689.77 g/mol
LogP27.47
Rot. Bonds80

About undecamagnesium;pentakis(octadecanoic acid)

undecamagnesium;pentakis(octadecanoic acid) (PubChem CID 173211480) has the molecular formula C90H180Mg11O10+22 and a molecular weight of 1689.77 g/mol. Its IUPAC name is undecamagnesium;pentakis(octadecanoic acid).

Molecular Properties

Compound Nameundecamagnesium;pentakis(octadecanoic acid)
PubChem CID173211480
Molecular FormulaC90H180Mg11O10+22
Molecular Weight1689.77 g/mol
Exact Mass1685.18
IUPAC Nameundecamagnesium;pentakis(octadecanoic acid)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/5C18H36O2.11Mg/c5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;;;;;/h5*2-17H2,1H3,(H,19,20);;;;;;;;;;;/q;;;;;11*+2
InChIKeyJZWRNQTVEBONDQ-UHFFFAOYSA-N
XLogP27.47
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds80
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001689.77
LogP ≤ 527.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

nonamagnesium;pentadecakis(octadecanoic acid)
CID 173283309
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
decamagnesium;hydride;bis(octadecanoic acid)
CID 173211528
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of undecamagnesium;pentakis(octadecanoic acid)?
The IUPAC name of undecamagnesium;pentakis(octadecanoic acid) (CID 173211480) is undecamagnesium;pentakis(octadecanoic acid).
What is the SMILES notation for undecamagnesium;pentakis(octadecanoic acid)?
The canonical SMILES for undecamagnesium;pentakis(octadecanoic acid) is CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.[Mg+2].[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 undecamagnesium;pentakis(octadecanoic acid)?
The InChIKey is JZWRNQTVEBONDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/5C18H36O2.11Mg/c5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;;;;;/h5*2-17H2,1H3,(H,19,20);;;;;;;;;;;/q;;;;;11*+2.
What are the key properties of undecamagnesium;pentakis(octadecanoic acid)?
undecamagnesium;pentakis(octadecanoic acid) has a molecular weight of 1689.77 g/mol, XLogP of 27.47, 80 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for undecamagnesium;pentakis(octadecanoic acid) is sourced from PubChem (CID 173211480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).