manganese(2+);bis(undec-2-enoate)

C22H38MnO4 — CID 89315247

IUPACmanganese(2+);bis(undec-2-enoate)
SMILESCCCCCCCCC=CC(=O)[O-].CCCCCCCCC=CC(=O)[O-].[Mn+2]
InChIInChI=1S/2C11H20O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*9-10H,2-8H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyVTOOBEXKNBTHIE-UHFFFAOYSA-L
MW421.48 g/mol
LogP4.08
Rot. Bonds16

About manganese(2+);bis(undec-2-enoate)

manganese(2+);bis(undec-2-enoate) (PubChem CID 89315247) has the molecular formula C22H38MnO4 and a molecular weight of 421.48 g/mol. Its IUPAC name is manganese(2+);bis(undec-2-enoate).

Molecular Properties

Compound Namemanganese(2+);bis(undec-2-enoate)
PubChem CID89315247
Molecular FormulaC22H38MnO4
Molecular Weight421.48 g/mol
Exact Mass421.22
IUPAC Namemanganese(2+);bis(undec-2-enoate)
SMILESCCCCCCCCC=CC(=O)[O-].CCCCCCCCC=CC(=O)[O-].[Mn+2]
InChIInChI=1S/2C11H20O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*9-10H,2-8H2,1H3,(H,12,13);/q;;+2/p-2
InChIKeyVTOOBEXKNBTHIE-UHFFFAOYSA-L
XLogP4.08
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

lead(2+);bis(undec-2-enoate)
CID 87254257
lithium nonadec-2-enoate
CID 139791513
azanium dec-2-enoate
CID 162335967
magnesium bis(dec-2-enoate)
CID 159853408
neodymium(3+);tris(oct-2-enoate)
CID 158634826
diazanium;ethanolate;undec-2-enoate
CID 141132722
calcium bis(hept-2-enoate)
CID 141143408
(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
CID 21145301
bismuth bis((2E,4E)-dodeca-2,4-dienoate)
CID 6433559
sodium icosa-2,4,6,8-tetraenoate
CID 165168536
sodium docosa-2,4,6,8,10,12-hexaenoate
CID 173150739
silver icosa-2,4,6,8,10-pentaenoate
CID 173148678

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(undec-2-enoate)?
The IUPAC name of manganese(2+);bis(undec-2-enoate) (CID 89315247) is manganese(2+);bis(undec-2-enoate).
What is the SMILES notation for manganese(2+);bis(undec-2-enoate)?
The canonical SMILES for manganese(2+);bis(undec-2-enoate) is CCCCCCCCC=CC(=O)[O-].CCCCCCCCC=CC(=O)[O-].[Mn+2].
What is the InChIKey of manganese(2+);bis(undec-2-enoate)?
The InChIKey is VTOOBEXKNBTHIE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H20O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*9-10H,2-8H2,1H3,(H,12,13);/q;;+2/p-2.
What are the key properties of manganese(2+);bis(undec-2-enoate)?
manganese(2+);bis(undec-2-enoate) has a molecular weight of 421.48 g/mol, XLogP of 4.08, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(undec-2-enoate) is sourced from PubChem (CID 89315247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).