lithium;butane;dioxomanganese

C4H9LiMnO2 — CID 161246683

IUPAClithium;butane;dioxomanganese
SMILESO=[Mn]=O.[CH2-]CCC.[Li+]
InChIInChI=1S/C4H9.Li.Mn.2O/c1-3-4-2;;;;/h1,3-4H2,2H3;;;;/q-1;+1;;;
InChIKeySAJMKYLYBOJWTJ-UHFFFAOYSA-N
MW150.99 g/mol
LogP-1.62
Rot. Bonds1

About lithium;butane;dioxomanganese

lithium;butane;dioxomanganese (PubChem CID 161246683) has the molecular formula C4H9LiMnO2 and a molecular weight of 150.99 g/mol. Its IUPAC name is lithium;butane;dioxomanganese.

Molecular Properties

Compound Namelithium;butane;dioxomanganese
PubChem CID161246683
Molecular FormulaC4H9LiMnO2
Molecular Weight150.99 g/mol
Exact Mass151.01
IUPAC Namelithium;butane;dioxomanganese
SMILESO=[Mn]=O.[CH2-]CCC.[Li+]
InChIInChI=1S/C4H9.Li.Mn.2O/c1-3-4-2;;;;/h1,3-4H2,2H3;;;;/q-1;+1;;;
InChIKeySAJMKYLYBOJWTJ-UHFFFAOYSA-N
XLogP-1.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.99
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;butane;dioxomanganese?
The IUPAC name of lithium;butane;dioxomanganese (CID 161246683) is lithium;butane;dioxomanganese.
What is the SMILES notation for lithium;butane;dioxomanganese?
The canonical SMILES for lithium;butane;dioxomanganese is O=[Mn]=O.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;dioxomanganese?
The InChIKey is SAJMKYLYBOJWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.Li.Mn.2O/c1-3-4-2;;;;/h1,3-4H2,2H3;;;;/q-1;+1;;;.
What are the key properties of lithium;butane;dioxomanganese?
lithium;butane;dioxomanganese has a molecular weight of 150.99 g/mol, XLogP of -1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;dioxomanganese is sourced from PubChem (CID 161246683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).