bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)

C26H38N4O10V2-10 — CID 139082752

IUPACbis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)
SMILESCCOc1cccc(C=NCCNCCO)c1[O-].CCOc1cccc(C=NCCNCCO)c1[O-].[O-2].[O-2].[O-2].[O-2].[V].[V]
InChIInChI=1S/2C13H20N2O3.4O.2V/c2*1-2-18-12-5-3-4-11(13(12)17)10-15-7-6-14-8-9-16;;;;;;/h2*3-5,10,14,16-17H,2,6-9H2,1H3;;;;;;/q;;4*-2;;/p-2
InChIKeyUOZTXQRZVCXJGB-UHFFFAOYSA-L
MW668.50 g/mol
LogP-0.16
Rot. Bonds16

About bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)

bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium) (PubChem CID 139082752) has the molecular formula C26H38N4O10V2-10 and a molecular weight of 668.50 g/mol. Its IUPAC name is bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium).

Molecular Properties

Compound Namebis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)
PubChem CID139082752
Molecular FormulaC26H38N4O10V2-10
Molecular Weight668.50 g/mol
Exact Mass668.15
IUPAC Namebis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)
SMILESCCOc1cccc(C=NCCNCCO)c1[O-].CCOc1cccc(C=NCCNCCO)c1[O-].[O-2].[O-2].[O-2].[O-2].[V].[V]
InChIInChI=1S/2C13H20N2O3.4O.2V/c2*1-2-18-12-5-3-4-11(13(12)17)10-15-7-6-14-8-9-16;;;;;;/h2*3-5,10,14,16-17H,2,6-9H2,1H3;;;;;;/q;;4*-2;;/p-2
InChIKeyUOZTXQRZVCXJGB-UHFFFAOYSA-L
XLogP-0.16
TPSA267.82 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.50
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium) 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

copper;2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;terbium(3+);trinitrate
CID 139036889
2-ethoxy-6-[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135487695
bis(2-methoxy-6-[2-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenolate);bis(yttrium(3+));dinitrate
CID 139116350
zinc bis(2-(2-hydroxyethyliminomethyl)-6-methoxyphenolate)
CID 139072510
sodium 2-ethoxy-6-formylphenolate
CID 102504150
dicopper;bis(2-ethoxy-6-[2-[(3-ethoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate);propan-2-one;rubidium(1+);tetraphenylboranuide;hydrate
CID 139197722
2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139082337
dicopper;bis(2-[2-(2-aminoethylamino)ethyliminomethyl]-6-hydroxyphenolate);ethanol;dinitrate
CID 139087726
sodium;cobalt(3+);2-ethoxy-6-[[3-[(3-ethoxy-2-oxidophenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenolate;diisothiocyanate;hydrate
CID 139171905
copper;2-ethoxy-6-[[(2R)-2-[(3-ethoxy-2-oxidophenyl)methylideneamino]propyl]iminomethyl]phenolate;methanol;neodymium(3+);trinitrate
CID 139199100
bis(cobalt(2+));bis(2-ethoxy-6-[[4-[4-[(3-ethoxy-2-oxidophenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenolate)
CID 139168001
dicopper;potassium;bis(2-ethoxy-6-[[(1R,2R)-2-[(3-ethoxy-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate);methanol;bromide
CID 139197509

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)?
The IUPAC name of bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium) (CID 139082752) is bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium).
What is the SMILES notation for bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)?
The canonical SMILES for bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium) is CCOc1cccc(C=NCCNCCO)c1[O-].CCOc1cccc(C=NCCNCCO)c1[O-].[O-2].[O-2].[O-2].[O-2].[V].[V].
What is the InChIKey of bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)?
The InChIKey is UOZTXQRZVCXJGB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H20N2O3.4O.2V/c2*1-2-18-12-5-3-4-11(13(12)17)10-15-7-6-14-8-9-16;;;;;;/h2*3-5,10,14,16-17H,2,6-9H2,1H3;;;;;;/q;;4*-2;;/p-2.
What are the key properties of bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium)?
bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium) has a molecular weight of 668.50 g/mol, XLogP of -0.16, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxy-6-[2-(2-hydroxyethylamino)ethyliminomethyl]phenolate);tetrakis(oxygen(2-));bis(vanadium) is sourced from PubChem (CID 139082752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).