About methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium)
methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium) (PubChem CID 139142753) has the molecular formula C36H100N4O38V12-60
and a molecular weight of 1808.51 g/mol. Its IUPAC name is methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium).
Molecular Properties
| Compound Name | methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium) |
|---|
| PubChem CID | 139142753 |
|---|
| Molecular Formula | C36H100N4O38V12-60 |
|---|
| Molecular Weight | 1808.51 g/mol |
|---|
| Exact Mass | 1807.96 |
|---|
| IUPAC Name | methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium) |
|---|
| SMILES | CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V] |
|---|
| InChI | InChI=1S/4C6H15N.12CH3O.26O.12V/c4*1-4-7(5-2)6-3;12*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*4-6H2,1-3H3;12*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;12*-1;26*-2;;;;;;;;;;;;/p+4 |
|---|
| InChIKey | KMAQBNOEJUBAOG-UHFFFAOYSA-R |
|---|
| XLogP | -15.68 |
|---|
| TPSA | 1035.48 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 12 |
|---|
| Rotatable Bonds | 12 |
|---|
| Heavy Atoms | 90 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1808.51 |
| LogP ≤ 5 | -15.68 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 12 |
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Frequently Asked Questions
What is the IUPAC name of methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium)?
The IUPAC name of methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium) (CID 139142753) is methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium).
What is the SMILES notation for methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium)?
The canonical SMILES for methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium) is CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.CC[NH+](CC)CC.C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].
What is the InChIKey of methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium)?
The InChIKey is KMAQBNOEJUBAOG-UHFFFAOYSA-R. The full InChI is InChI=1S/4C6H15N.12CH3O.26O.12V/c4*1-4-7(5-2)6-3;12*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4*4-6H2,1-3H3;12*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;12*-1;26*-2;;;;;;;;;;;;/p+4.
What are the key properties of methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium)?
methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium) has a molecular weight of 1808.51 g/mol, XLogP of -15.68, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;(oxygen(2-));tetrakis(triethylazanium);dodecakis(vanadium) is sourced from PubChem (CID 139142753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).