manganese(2+);bis(tricosanoate)

C46H90MnO4 — CID 100951425

IUPACmanganese(2+);bis(tricosanoate)
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Mn+2]
InChIInChI=1S/2C23H46O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2*2-22H2,1H3,(H,24,25);/q;;+2/p-2
InChIKeyCDNCQWOFFXNGBD-UHFFFAOYSA-L
MW762.16 g/mol
LogP13.89
Rot. Bonds42

About manganese(2+);bis(tricosanoate)

manganese(2+);bis(tricosanoate) (PubChem CID 100951425) has the molecular formula C46H90MnO4 and a molecular weight of 762.16 g/mol. Its IUPAC name is manganese(2+);bis(tricosanoate).

Molecular Properties

Compound Namemanganese(2+);bis(tricosanoate)
PubChem CID100951425
Molecular FormulaC46H90MnO4
Molecular Weight762.16 g/mol
Exact Mass761.62
IUPAC Namemanganese(2+);bis(tricosanoate)
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Mn+2]
InChIInChI=1S/2C23H46O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2*2-22H2,1H3,(H,24,25);/q;;+2/p-2
InChIKeyCDNCQWOFFXNGBD-UHFFFAOYSA-L
XLogP13.89
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds42
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.16
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
decanoate;lanthanum(3+)
CID 21139452
calcium;hexadecanoate;octadecanoate
CID 22065418
bis(undecanoate);zirconium(2+)
CID 18995554
tetrakis(octadecanoate);thorium(4+)
CID 160802738
gallium tris(decanoate)
CID 23501641

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(tricosanoate)?
The IUPAC name of manganese(2+);bis(tricosanoate) (CID 100951425) is manganese(2+);bis(tricosanoate).
What is the SMILES notation for manganese(2+);bis(tricosanoate)?
The canonical SMILES for manganese(2+);bis(tricosanoate) is CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].[Mn+2].
What is the InChIKey of manganese(2+);bis(tricosanoate)?
The InChIKey is CDNCQWOFFXNGBD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H46O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2*2-22H2,1H3,(H,24,25);/q;;+2/p-2.
What are the key properties of manganese(2+);bis(tricosanoate)?
manganese(2+);bis(tricosanoate) has a molecular weight of 762.16 g/mol, XLogP of 13.89, 42 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(tricosanoate) is sourced from PubChem (CID 100951425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).