cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate

C31H46CoN2O6Si2 — CID 173033867

IUPACcobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1cc([Si](C)(C)C)cc(/C=N/C2CCCC2/N=C/c2cc([Si](C)(C)C)cc(C)c2O)c1O.[Co+2]
InChIInChI=1S/C27H40N2O2Si2.2C2H4O2.Co/c1-18-12-22(32(3,4)5)14-20(26(18)30)16-28-24-10-9-11-25(24)29-17-21-15-23(33(6,7)8)13-19(2)27(21)31;2*1-2(3)4;/h12-17,24-25,30-31H,9-11H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b28-16+,29-17+;;;
InChIKeyUOKLMUMKNAZSJO-QWYDHZSYSA-L
MW657.82 g/mol
LogP2.77
Rot. Bonds6

About cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate

cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate (PubChem CID 173033867) has the molecular formula C31H46CoN2O6Si2 and a molecular weight of 657.82 g/mol. Its IUPAC name is cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate.

Molecular Properties

Compound Namecobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
PubChem CID173033867
Molecular FormulaC31H46CoN2O6Si2
Molecular Weight657.82 g/mol
Exact Mass657.22
IUPAC Namecobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].Cc1cc([Si](C)(C)C)cc(/C=N/C2CCCC2/N=C/c2cc([Si](C)(C)C)cc(C)c2O)c1O.[Co+2]
InChIInChI=1S/C27H40N2O2Si2.2C2H4O2.Co/c1-18-12-22(32(3,4)5)14-20(26(18)30)16-28-24-10-9-11-25(24)29-17-21-15-23(33(6,7)8)13-19(2)27(21)31;2*1-2(3)4;/h12-17,24-25,30-31H,9-11H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b28-16+,29-17+;;;
InChIKeyUOKLMUMKNAZSJO-QWYDHZSYSA-L
XLogP2.77
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.82
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol
CID 137085239
cobalt(2+);2-[[1-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]-2-bicyclo[2.2.1]heptanyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
CID 159184050
cobalt(2+);2-[[2-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate
CID 173033910
cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
CID 173033996
cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate
CID 159447918
4-tert-butyl-2-[[(1R,2R)-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methylphenol
CID 136611019
cobalt(2+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;diacetate
CID 173167408
cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate
CID 160753336
2-[[3-[[2-hydroxy-3,5-bis(trimethylsilyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(trimethylsilyl)phenol
CID 137124781
carbanide;carbon monoxide;chromium;cobalt;bis(2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol);hydrate
CID 157167093
cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate
CID 173033959
chromium;2-[[(2R)-2-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dimethylphenol;azide
CID 159906793

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?
The IUPAC name of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate (CID 173033867) is cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate.
What is the SMILES notation for cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?
The canonical SMILES for cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].Cc1cc([Si](C)(C)C)cc(/C=N/C2CCCC2/N=C/c2cc([Si](C)(C)C)cc(C)c2O)c1O.[Co+2].
What is the InChIKey of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?
The InChIKey is UOKLMUMKNAZSJO-QWYDHZSYSA-L. The full InChI is InChI=1S/C27H40N2O2Si2.2C2H4O2.Co/c1-18-12-22(32(3,4)5)14-20(26(18)30)16-28-24-10-9-11-25(24)29-17-21-15-23(33(6,7)8)13-19(2)27(21)31;2*1-2(3)4;/h12-17,24-25,30-31H,9-11H2,1-8H3;2*1H3,(H,3,4);/q;;;+2/p-2/b28-16+,29-17+;;;.
What are the key properties of cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate?
cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate has a molecular weight of 657.82 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate is sourced from PubChem (CID 173033867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).