tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+))

C104H160Cl4Mg4O20Ti2 — CID 139126066

IUPACtetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+))
SMILESCC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].ClCCl.ClCCl.[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-2].[O-2].[O-]C[C@@H]1CCCO1.[O-]C[C@@H]1CCCO1.[O-]C[C@@H]1CCCO1.[O-]C[C@H]1CCCO1.[O-]C[C@H]1CCCO1.[O-]C[C@H]1CCCO1.[Ti+4].[Ti+4]
InChIInChI=1S/6C12H18O.6C5H9O2.2CH2Cl2.4Mg.2O.2Ti/c6*1-8(2)10-6-5-7-11(9(3)4)12(10)13;6*6-4-5-2-1-3-7-5;2*2-1-3;;;;;;;;/h6*5-9,13H,1-4H3;6*5H,1-4H2;2*1H2;;;;;;;;/q;;;;;;6*-1;;;4*+2;2*-2;2*+4/p-6/t;;;;;;6*5-;;;;;;;;;;/m......111000........../s1
InChIKeyOIJADPICSLIMCM-GXFXPTIZSA-H
MW2065.17 g/mol
LogP16.27
Rot. Bonds18

About tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+))

tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+)) (PubChem CID 139126066) has the molecular formula C104H160Cl4Mg4O20Ti2 and a molecular weight of 2065.17 g/mol. Its IUPAC name is tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+)).

Molecular Properties

Compound Nametetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+))
PubChem CID139126066
Molecular FormulaC104H160Cl4Mg4O20Ti2
Molecular Weight2065.17 g/mol
Exact Mass2060.86
IUPAC Nametetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+))
SMILESCC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].ClCCl.ClCCl.[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-2].[O-2].[O-]C[C@@H]1CCCO1.[O-]C[C@@H]1CCCO1.[O-]C[C@@H]1CCCO1.[O-]C[C@H]1CCCO1.[O-]C[C@H]1CCCO1.[O-]C[C@H]1CCCO1.[Ti+4].[Ti+4]
InChIInChI=1S/6C12H18O.6C5H9O2.2CH2Cl2.4Mg.2O.2Ti/c6*1-8(2)10-6-5-7-11(9(3)4)12(10)13;6*6-4-5-2-1-3-7-5;2*2-1-3;;;;;;;;/h6*5-9,13H,1-4H3;6*5H,1-4H2;2*1H2;;;;;;;;/q;;;;;;6*-1;;;4*+2;2*-2;2*+4/p-6/t;;;;;;6*5-;;;;;;;;;;/m......111000........../s1
InChIKeyOIJADPICSLIMCM-GXFXPTIZSA-H
XLogP16.27
TPSA389.10 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002065.17
LogP ≤ 516.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+)) with MolForge

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Related Compounds

tris(2,6-di(propan-2-yl)phenolate);lanthanum(3+);oxolane
CID 139157940
1-[2,6-di(propan-2-yl)phenyl]-3-(oxolan-2-ylmethyl)thiourea
CID 17283653
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
(2S)-2-(3-chloro-2-methylpropyl)oxolane
CID 165447123
2-[2-(3-bromophenyl)-3-chloropropyl]oxolane
CID 79431236
tris(2,6-di(propan-2-yl)phenolate);neodymium(3+);oxolane;toluene
CID 139157933
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718
(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496640
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]oxolane
CID 66048360
1-(2,3-dichlorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 113391584
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 79443477

Frequently Asked Questions

What is the IUPAC name of tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+))?
The IUPAC name of tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+)) (CID 139126066) is tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+)).
What is the SMILES notation for tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+))?
The canonical SMILES for tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+)) is CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].CC(C)c1cccc(C(C)C)c1[O-].ClCCl.ClCCl.[Mg+2].[Mg+2].[Mg+2].[Mg+2].[O-2].[O-2].[O-]C[C@@H]1CCCO1.[O-]C[C@@H]1CCCO1.[O-]C[C@@H]1CCCO1.[O-]C[C@H]1CCCO1.[O-]C[C@H]1CCCO1.[O-]C[C@H]1CCCO1.[Ti+4].[Ti+4].
What is the InChIKey of tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+))?
The InChIKey is OIJADPICSLIMCM-GXFXPTIZSA-H. The full InChI is InChI=1S/6C12H18O.6C5H9O2.2CH2Cl2.4Mg.2O.2Ti/c6*1-8(2)10-6-5-7-11(9(3)4)12(10)13;6*6-4-5-2-1-3-7-5;2*2-1-3;;;;;;;;/h6*5-9,13H,1-4H3;6*5H,1-4H2;2*1H2;;;;;;;;/q;;;;;;6*-1;;;4*+2;2*-2;2*+4/p-6/t;;;;;;6*5-;;;;;;;;;;/m......111000........../s1.
What are the key properties of tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+))?
tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+)) has a molecular weight of 2065.17 g/mol, XLogP of 16.27, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetramagnesium;bis(dichloromethane);hexakis(2,6-di(propan-2-yl)phenolate);tris([(2R)-oxolan-2-yl]methanolate);tris([(2S)-oxolan-2-yl]methanolate);bis(oxygen(2-));bis(titanium(4+)) is sourced from PubChem (CID 139126066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).