bis(2-ethyl-2-methylheptanoate);manganese(2+)

C20H38MnO4 — CID 138394983

IUPACbis(2-ethyl-2-methylheptanoate);manganese(2+)
SMILESCCCCCC(C)(CC)C(=O)[O-].CCCCCC(C)(CC)C(=O)[O-].[Mn+2]
InChIInChI=1S/2C10H20O2.Mn/c2*1-4-6-7-8-10(3,5-2)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
InChIKeyZRBMZUDGDDLYLK-UHFFFAOYSA-L
MW397.46 g/mol
LogP3.46
Rot. Bonds12

About bis(2-ethyl-2-methylheptanoate);manganese(2+)

bis(2-ethyl-2-methylheptanoate);manganese(2+) (PubChem CID 138394983) has the molecular formula C20H38MnO4 and a molecular weight of 397.46 g/mol. Its IUPAC name is bis(2-ethyl-2-methylheptanoate);manganese(2+).

Molecular Properties

Compound Namebis(2-ethyl-2-methylheptanoate);manganese(2+)
PubChem CID138394983
Molecular FormulaC20H38MnO4
Molecular Weight397.46 g/mol
Exact Mass397.22
IUPAC Namebis(2-ethyl-2-methylheptanoate);manganese(2+)
SMILESCCCCCC(C)(CC)C(=O)[O-].CCCCCC(C)(CC)C(=O)[O-].[Mn+2]
InChIInChI=1S/2C10H20O2.Mn/c2*1-4-6-7-8-10(3,5-2)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2
InChIKeyZRBMZUDGDDLYLK-UHFFFAOYSA-L
XLogP3.46
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2-ethyl-2-methylheptanoate);manganese(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-ethyl-2-methylhexanoate
CID 86308625
2,2-dimethyloctanoate;bis(2-ethyl-2-methylheptanoate);samarium(3+)
CID 102059876
2-hexyl-2-methylpentadecanoate
CID 57350898
(2S)-2-ethyl-2-methylpentanoate
CID 86306121
silver 2-methyl-2-propylhexanoate
CID 175204967
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
copper(1+);2,2-dimethylheptanoate
CID 159491834
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991
azanium 3-decyl-3-ethyl-2,2-dimethyltridecanoate
CID 164852725
2-ethyl-N-hydroxy-2-methylpentadecanamide
CID 138558679
calcium 2,2-didodecylpropanedioate
CID 153423845
dipotassium;2,2-dipentylpropanedioate
CID 139411547

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-2-methylheptanoate);manganese(2+)?
The IUPAC name of bis(2-ethyl-2-methylheptanoate);manganese(2+) (CID 138394983) is bis(2-ethyl-2-methylheptanoate);manganese(2+).
What is the SMILES notation for bis(2-ethyl-2-methylheptanoate);manganese(2+)?
The canonical SMILES for bis(2-ethyl-2-methylheptanoate);manganese(2+) is CCCCCC(C)(CC)C(=O)[O-].CCCCCC(C)(CC)C(=O)[O-].[Mn+2].
What is the InChIKey of bis(2-ethyl-2-methylheptanoate);manganese(2+)?
The InChIKey is ZRBMZUDGDDLYLK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H20O2.Mn/c2*1-4-6-7-8-10(3,5-2)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2.
What are the key properties of bis(2-ethyl-2-methylheptanoate);manganese(2+)?
bis(2-ethyl-2-methylheptanoate);manganese(2+) has a molecular weight of 397.46 g/mol, XLogP of 3.46, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-2-methylheptanoate);manganese(2+) is sourced from PubChem (CID 138394983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).