bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)

C17H39O7Ta — CID 173418844

IUPACbis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CCOCC[O-].CCOCC[O-].[Ta+5]
InChIInChI=1S/2C4H9O2.3C3H7O.Ta/c2*1-2-6-4-3-5;3*1-3(2)4;/h2*2-4H2,1H3;3*3H,1-2H3;/q5*-1;+5
InChIKeyFHUHNVCTNJZMSF-UHFFFAOYSA-N
MW536.44 g/mol
LogP-1.97
Rot. Bonds6

About bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)

bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+) (PubChem CID 173418844) has the molecular formula C17H39O7Ta and a molecular weight of 536.44 g/mol. Its IUPAC name is bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+).

Molecular Properties

Compound Namebis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)
PubChem CID173418844
Molecular FormulaC17H39O7Ta
Molecular Weight536.44 g/mol
Exact Mass536.22
IUPAC Namebis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CCOCC[O-].CCOCC[O-].[Ta+5]
InChIInChI=1S/2C4H9O2.3C3H7O.Ta/c2*1-2-6-4-3-5;3*1-3(2)4;/h2*2-4H2,1H3;3*3H,1-2H3;/q5*-1;+5
InChIKeyFHUHNVCTNJZMSF-UHFFFAOYSA-N
XLogP-1.97
TPSA133.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.44
LogP ≤ 5-1.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethanolate
CID 22392618
bis(2-ethoxyethanolate);iron(2+)
CID 160755483
sodium 2-(2-ethoxyethoxy)ethanolate
CID 23709816
potassium 2-(2-ethoxyethoxy)ethanolate
CID 23702464
pentakis(2-butoxyethanolate);tantalum(5+)
CID 22112128
1-ethoxypropane;methane
CID 158784820
1-ethoxypropane;1-propan-2-yloxypropane
CID 171659153
1,2-diethoxyethane;hydrofluoride
CID 175535770
ethanolate;tetrakis(propan-2-olate);bis(silicon(4+))
CID 158885954
1-(2-ethoxyethylsulfanyl)-2-methylpropane
CID 88911934
1-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 88861501
chloromercury;1-ethoxypropane
CID 175272647

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)?
The IUPAC name of bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+) (CID 173418844) is bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+).
What is the SMILES notation for bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)?
The canonical SMILES for bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CCOCC[O-].CCOCC[O-].[Ta+5].
What is the InChIKey of bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)?
The InChIKey is FHUHNVCTNJZMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O2.3C3H7O.Ta/c2*1-2-6-4-3-5;3*1-3(2)4;/h2*2-4H2,1H3;3*3H,1-2H3;/q5*-1;+5.
What are the key properties of bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+)?
bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+) has a molecular weight of 536.44 g/mol, XLogP of -1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxyethanolate);tris(propan-2-olate);tantalum(5+) is sourced from PubChem (CID 173418844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).