nonamagnesium;pentadecakis(octadecanoic acid)

C270H540Mg9O30+18 — CID 173283309

IUPACnonamagnesium;pentadecakis(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.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]
InChIInChI=1S/15C18H36O2.9Mg/c15*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;;;/h15*2-17H2,1H3,(H,19,20);;;;;;;;;/q;;;;;;;;;;;;;;;9*+2
InChIKeySSUDFVBKPBUPMM-UHFFFAOYSA-N
MW4486.01 g/mol
LogP91.56
Rot. Bonds240

About nonamagnesium;pentadecakis(octadecanoic acid)

nonamagnesium;pentadecakis(octadecanoic acid) (PubChem CID 173283309) has the molecular formula C270H540Mg9O30+18 and a molecular weight of 4486.01 g/mol. Its IUPAC name is nonamagnesium;pentadecakis(octadecanoic acid).

Molecular Properties

Compound Namenonamagnesium;pentadecakis(octadecanoic acid)
PubChem CID173283309
Molecular FormulaC270H540Mg9O30+18
Molecular Weight4486.01 g/mol
Exact Mass4479.93
IUPAC Namenonamagnesium;pentadecakis(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.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]
InChIInChI=1S/15C18H36O2.9Mg/c15*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;;;/h15*2-17H2,1H3,(H,19,20);;;;;;;;;/q;;;;;;;;;;;;;;;9*+2
InChIKeySSUDFVBKPBUPMM-UHFFFAOYSA-N
XLogP91.56
TPSA559.50 Ų
H-Bond Donors15
H-Bond Acceptors15
Rotatable Bonds240
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004486.01
LogP ≤ 591.56
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

undecamagnesium;pentakis(octadecanoic acid)
CID 173211480
decamagnesium;hydride;bis(octadecanoic acid)
CID 173211528
dimagnesium;hydride;octadecanoic acid;tetradecanoic acid
CID 174909227
pentakis(decanoic acid);tetradecanoic acid
CID 173200297
(1,12-13C2)dodecanoic acid
CID 71308916
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

Frequently Asked Questions

What is the IUPAC name of nonamagnesium;pentadecakis(octadecanoic acid)?
The IUPAC name of nonamagnesium;pentadecakis(octadecanoic acid) (CID 173283309) is nonamagnesium;pentadecakis(octadecanoic acid).
What is the SMILES notation for nonamagnesium;pentadecakis(octadecanoic acid)?
The canonical SMILES for nonamagnesium;pentadecakis(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.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].
What is the InChIKey of nonamagnesium;pentadecakis(octadecanoic acid)?
The InChIKey is SSUDFVBKPBUPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/15C18H36O2.9Mg/c15*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;;;/h15*2-17H2,1H3,(H,19,20);;;;;;;;;/q;;;;;;;;;;;;;;;9*+2.
What are the key properties of nonamagnesium;pentadecakis(octadecanoic acid)?
nonamagnesium;pentadecakis(octadecanoic acid) has a molecular weight of 4486.01 g/mol, XLogP of 91.56, 240 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for nonamagnesium;pentadecakis(octadecanoic acid) is sourced from PubChem (CID 173283309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).