ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane

C12H27AlBF3NiO5 — CID 173327290

IUPACethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane
SMILESCCOCC.CC[Al](CC)CC.FB(F)F.O=[C-]O.O=[C-]O.[Ni+2]
InChIInChI=1S/C4H10O.3C2H5.2CHO2.Al.BF3.Ni/c1-3-5-4-2;3*1-2;2*2-1-3;;2-1(3)4;/h3-4H2,1-2H3;3*1H2,2H3;2*(H,2,3);;;/q;;;;2*-1;;;+2
InChIKeyYLIJCSPYSHZKEA-UHFFFAOYSA-N
MW404.82 g/mol
LogP3.68
Rot. Bonds5

About ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane

ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane (PubChem CID 173327290) has the molecular formula C12H27AlBF3NiO5 and a molecular weight of 404.82 g/mol. Its IUPAC name is ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane.

Molecular Properties

Compound Nameethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane
PubChem CID173327290
Molecular FormulaC12H27AlBF3NiO5
Molecular Weight404.82 g/mol
Exact Mass404.11
IUPAC Nameethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane
SMILESCCOCC.CC[Al](CC)CC.FB(F)F.O=[C-]O.O=[C-]O.[Ni+2]
InChIInChI=1S/C4H10O.3C2H5.2CHO2.Al.BF3.Ni/c1-3-5-4-2;3*1-2;2*2-1-3;;2-1(3)4;/h3-4H2,1-2H3;3*1H2,2H3;2*(H,2,3);;;/q;;;;2*-1;;;+2
InChIKeyYLIJCSPYSHZKEA-UHFFFAOYSA-N
XLogP3.68
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.82
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane 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

ethoxyethane;fluoroboronic acid
CID 173008541
ethoxyethane;fluoroboronic acid
CID 173104049
barium(2+);ethoxyethane;titanium;tetrahydroxide
CID 18003952
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;hydroxylamine
CID 135816400
ethoxyethane;oxophosphane
CID 18547249
ethoxyethane;formaldehyde
CID 174286087
dihydroxy(oxo)phosphanium;triethylalumane
CID 175425251
aluminum;ethoxymethanone;hydroxymethanone
CID 173457242
ethyl formate;trifluoroborane
CID 88614500
ethoxyethane;hydrate
CID 22594236

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane?
The IUPAC name of ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane (CID 173327290) is ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane.
What is the SMILES notation for ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane?
The canonical SMILES for ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane is CCOCC.CC[Al](CC)CC.FB(F)F.O=[C-]O.O=[C-]O.[Ni+2].
What is the InChIKey of ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane?
The InChIKey is YLIJCSPYSHZKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.3C2H5.2CHO2.Al.BF3.Ni/c1-3-5-4-2;3*1-2;2*2-1-3;;2-1(3)4;/h3-4H2,1-2H3;3*1H2,2H3;2*(H,2,3);;;/q;;;;2*-1;;;+2.
What are the key properties of ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane?
ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane has a molecular weight of 404.82 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;hydroxymethanone;nickel(2+);triethylalumane;trifluoroborane is sourced from PubChem (CID 173327290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).