cyclohexane;manganese(2+);bis(octadecanoate)

C42H82MnO4 — CID 174888958

IUPACcyclohexane;manganese(2+);bis(octadecanoate)
SMILESC1CCCCC1.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mn+2]
InChIInChI=1S/2C18H36O2.C6H12.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1;/h2*2-17H2,1H3,(H,19,20);1-6H2;/q;;;+2/p-2
InChIKeyZLSIERLANIQMSG-UHFFFAOYSA-L
MW706.05 g/mol
LogP12.33
Rot. Bonds32

About cyclohexane;manganese(2+);bis(octadecanoate)

cyclohexane;manganese(2+);bis(octadecanoate) (PubChem CID 174888958) has the molecular formula C42H82MnO4 and a molecular weight of 706.05 g/mol. Its IUPAC name is cyclohexane;manganese(2+);bis(octadecanoate).

Molecular Properties

Compound Namecyclohexane;manganese(2+);bis(octadecanoate)
PubChem CID174888958
Molecular FormulaC42H82MnO4
Molecular Weight706.05 g/mol
Exact Mass705.56
IUPAC Namecyclohexane;manganese(2+);bis(octadecanoate)
SMILESC1CCCCC1.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mn+2]
InChIInChI=1S/2C18H36O2.C6H12.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1;/h2*2-17H2,1H3,(H,19,20);1-6H2;/q;;;+2/p-2
InChIKeyZLSIERLANIQMSG-UHFFFAOYSA-L
XLogP12.33
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.05
LogP ≤ 512.33
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

manganese(2+);bis(tricosanoate)
CID 100951425
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum tris(dodecanoate)
CID 18764696
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
calcium;hexadecanoate;octadecanoate
CID 22065418
dimagnesium;octadecanoate
CID 19105820
magnesium;docosanoate;octadecanoate
CID 158868243
bis(undecanoate);zirconium(2+)
CID 18995554
decanoate;lanthanum(3+)
CID 21139452
tris(dodecanoate);neodymium(3+)
CID 15904715

Frequently Asked Questions

What is the IUPAC name of cyclohexane;manganese(2+);bis(octadecanoate)?
The IUPAC name of cyclohexane;manganese(2+);bis(octadecanoate) (CID 174888958) is cyclohexane;manganese(2+);bis(octadecanoate).
What is the SMILES notation for cyclohexane;manganese(2+);bis(octadecanoate)?
The canonical SMILES for cyclohexane;manganese(2+);bis(octadecanoate) is C1CCCCC1.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mn+2].
What is the InChIKey of cyclohexane;manganese(2+);bis(octadecanoate)?
The InChIKey is ZLSIERLANIQMSG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H36O2.C6H12.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5-3-1;/h2*2-17H2,1H3,(H,19,20);1-6H2;/q;;;+2/p-2.
What are the key properties of cyclohexane;manganese(2+);bis(octadecanoate)?
cyclohexane;manganese(2+);bis(octadecanoate) has a molecular weight of 706.05 g/mol, XLogP of 12.33, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;manganese(2+);bis(octadecanoate) is sourced from PubChem (CID 174888958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).