ethanolate;decakis(oxygen(2-));octakis(tantalum(5+))

C40H100O30Ta8 — CID 139153761

IUPACethanolate;decakis(oxygen(2-));octakis(tantalum(5+))
SMILESCC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5]
InChIInChI=1S/20C2H5O.10O.8Ta/c20*1-2-3;;;;;;;;;;;;;;;;;;/h20*2H2,1H3;;;;;;;;;;;;;;;;;;/q20*-1;10*-2;8*+5
InChIKeyGCGUMCAMICLKSY-UHFFFAOYSA-N
MW2508.79 g/mol
LogP-13.88
Rot. Bonds

About ethanolate;decakis(oxygen(2-));octakis(tantalum(5+))

ethanolate;decakis(oxygen(2-));octakis(tantalum(5+)) (PubChem CID 139153761) has the molecular formula C40H100O30Ta8 and a molecular weight of 2508.79 g/mol. Its IUPAC name is ethanolate;decakis(oxygen(2-));octakis(tantalum(5+)).

Molecular Properties

Compound Nameethanolate;decakis(oxygen(2-));octakis(tantalum(5+))
PubChem CID139153761
Molecular FormulaC40H100O30Ta8
Molecular Weight2508.79 g/mol
Exact Mass2508.21
IUPAC Nameethanolate;decakis(oxygen(2-));octakis(tantalum(5+))
SMILESCC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5]
InChIInChI=1S/20C2H5O.10O.8Ta/c20*1-2-3;;;;;;;;;;;;;;;;;;/h20*2H2,1H3;;;;;;;;;;;;;;;;;;/q20*-1;10*-2;8*+5
InChIKeyGCGUMCAMICLKSY-UHFFFAOYSA-N
XLogP-13.88
TPSA746.20 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002508.79
LogP ≤ 5-13.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Related Compounds

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CID 102346066
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Frequently Asked Questions

What is the IUPAC name of ethanolate;decakis(oxygen(2-));octakis(tantalum(5+))?
The IUPAC name of ethanolate;decakis(oxygen(2-));octakis(tantalum(5+)) (CID 139153761) is ethanolate;decakis(oxygen(2-));octakis(tantalum(5+)).
What is the SMILES notation for ethanolate;decakis(oxygen(2-));octakis(tantalum(5+))?
The canonical SMILES for ethanolate;decakis(oxygen(2-));octakis(tantalum(5+)) is CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5].[Ta+5].
What is the InChIKey of ethanolate;decakis(oxygen(2-));octakis(tantalum(5+))?
The InChIKey is GCGUMCAMICLKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/20C2H5O.10O.8Ta/c20*1-2-3;;;;;;;;;;;;;;;;;;/h20*2H2,1H3;;;;;;;;;;;;;;;;;;/q20*-1;10*-2;8*+5.
What are the key properties of ethanolate;decakis(oxygen(2-));octakis(tantalum(5+))?
ethanolate;decakis(oxygen(2-));octakis(tantalum(5+)) has a molecular weight of 2508.79 g/mol, XLogP of -13.88, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;decakis(oxygen(2-));octakis(tantalum(5+)) is sourced from PubChem (CID 139153761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).