ethanol;manganese;octadecanoic acid

C20H42MnO3 — CID 175375560

IUPACethanol;manganese;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCO.[Mn]
InChIInChI=1S/C18H36O2.C2H6O.Mn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3;/h2-17H2,1H3,(H,19,20);3H,2H2,1H3;
InChIKeyGENGLQHLZYQZCD-UHFFFAOYSA-N
MW385.49 g/mol
LogP6.33
Rot. Bonds16

About ethanol;manganese;octadecanoic acid

ethanol;manganese;octadecanoic acid (PubChem CID 175375560) has the molecular formula C20H42MnO3 and a molecular weight of 385.49 g/mol. Its IUPAC name is ethanol;manganese;octadecanoic acid.

Molecular Properties

Compound Nameethanol;manganese;octadecanoic acid
PubChem CID175375560
Molecular FormulaC20H42MnO3
Molecular Weight385.49 g/mol
Exact Mass385.25
IUPAC Nameethanol;manganese;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCO.[Mn]
InChIInChI=1S/C18H36O2.C2H6O.Mn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3;/h2-17H2,1H3,(H,19,20);3H,2H2,1H3;
InChIKeyGENGLQHLZYQZCD-UHFFFAOYSA-N
XLogP6.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethanol;manganese;octadecanoic acid?
The IUPAC name of ethanol;manganese;octadecanoic acid (CID 175375560) is ethanol;manganese;octadecanoic acid.
What is the SMILES notation for ethanol;manganese;octadecanoic acid?
The canonical SMILES for ethanol;manganese;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.CCO.[Mn].
What is the InChIKey of ethanol;manganese;octadecanoic acid?
The InChIKey is GENGLQHLZYQZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C2H6O.Mn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3;/h2-17H2,1H3,(H,19,20);3H,2H2,1H3;.
What are the key properties of ethanol;manganese;octadecanoic acid?
ethanol;manganese;octadecanoic acid has a molecular weight of 385.49 g/mol, XLogP of 6.33, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;manganese;octadecanoic acid is sourced from PubChem (CID 175375560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).