lithium;dioxirane-3,3-diol;hydride;manganese

CH3LiMnO4 — CID 174494593

IUPAClithium;dioxirane-3,3-diol;hydride;manganese
SMILESOC1(O)OO1.[H-].[Li+].[Mn]
InChIInChI=1S/CH2O4.Li.Mn.H/c2-1(3)4-5-1;;;/h2-3H;;;/q;+1;;-1
InChIKeyFVGUFZNMANXGFH-UHFFFAOYSA-N
MW140.91 g/mol
LogP-4.34
Rot. Bonds

About lithium;dioxirane-3,3-diol;hydride;manganese

lithium;dioxirane-3,3-diol;hydride;manganese (PubChem CID 174494593) has the molecular formula CH3LiMnO4 and a molecular weight of 140.91 g/mol. Its IUPAC name is lithium;dioxirane-3,3-diol;hydride;manganese.

Molecular Properties

Compound Namelithium;dioxirane-3,3-diol;hydride;manganese
PubChem CID174494593
Molecular FormulaCH3LiMnO4
Molecular Weight140.91 g/mol
Exact Mass140.96
IUPAC Namelithium;dioxirane-3,3-diol;hydride;manganese
SMILESOC1(O)OO1.[H-].[Li+].[Mn]
InChIInChI=1S/CH2O4.Li.Mn.H/c2-1(3)4-5-1;;;/h2-3H;;;/q;+1;;-1
InChIKeyFVGUFZNMANXGFH-UHFFFAOYSA-N
XLogP-4.34
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.91
LogP ≤ 5-4.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 173007590
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CID 173114997
alumane;3-hydroperoxydioxiran-3-ol
CID 175238595
lithium;alumane;hydride;hydrogen peroxide
CID 174884676
lanthanum;3-methoxydioxiran-3-ol
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CID 174848331

Frequently Asked Questions

What is the IUPAC name of lithium;dioxirane-3,3-diol;hydride;manganese?
The IUPAC name of lithium;dioxirane-3,3-diol;hydride;manganese (CID 174494593) is lithium;dioxirane-3,3-diol;hydride;manganese.
What is the SMILES notation for lithium;dioxirane-3,3-diol;hydride;manganese?
The canonical SMILES for lithium;dioxirane-3,3-diol;hydride;manganese is OC1(O)OO1.[H-].[Li+].[Mn].
What is the InChIKey of lithium;dioxirane-3,3-diol;hydride;manganese?
The InChIKey is FVGUFZNMANXGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O4.Li.Mn.H/c2-1(3)4-5-1;;;/h2-3H;;;/q;+1;;-1.
What are the key properties of lithium;dioxirane-3,3-diol;hydride;manganese?
lithium;dioxirane-3,3-diol;hydride;manganese has a molecular weight of 140.91 g/mol, XLogP of -4.34, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dioxirane-3,3-diol;hydride;manganese is sourced from PubChem (CID 174494593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).