cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate

C33H46CoN2O6 — CID 160753336

IUPACcobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCc1cc(/C=N/C2CCCC2/N=C/c2cc(CCC)cc(CC)c2O)c(O)c(CC)c1.[Co+2]
InChIInChI=1S/C29H40N2O2.2C2H4O2.Co/c1-5-10-20-14-22(7-3)28(32)24(16-20)18-30-26-12-9-13-27(26)31-19-25-17-21(11-6-2)15-23(8-4)29(25)33;2*1-2(3)4;/h14-19,26-27,32-33H,5-13H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2/b30-18+,31-19+;;;
InChIKeyRXCLOTWVQSTSEA-HOZDODFKSA-L
MW625.67 g/mol
LogP4.10
Rot. Bonds10

About cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate

cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate (PubChem CID 160753336) has the molecular formula C33H46CoN2O6 and a molecular weight of 625.67 g/mol. Its IUPAC name is cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate.

Molecular Properties

Compound Namecobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate
PubChem CID160753336
Molecular FormulaC33H46CoN2O6
Molecular Weight625.67 g/mol
Exact Mass625.27
IUPAC Namecobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCc1cc(/C=N/C2CCCC2/N=C/c2cc(CCC)cc(CC)c2O)c(O)c(CC)c1.[Co+2]
InChIInChI=1S/C29H40N2O2.2C2H4O2.Co/c1-5-10-20-14-22(7-3)28(32)24(16-20)18-30-26-12-9-13-27(26)31-19-25-17-21(11-6-2)15-23(8-4)29(25)33;2*1-2(3)4;/h14-19,26-27,32-33H,5-13H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2/b30-18+,31-19+;;;
InChIKeyRXCLOTWVQSTSEA-HOZDODFKSA-L
XLogP4.10
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.67
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

cobalt(2+);2-ethyl-6-[[2-[[3-ethyl-2-hydroxy-5-(trifluoromethyl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4-(trifluoromethyl)phenol;diacetate
CID 173034040
2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol
CID 137047481
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+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-ethylphenol;diacetate
CID 161045530
cobalt(2+);2-ethyl-6-[[4-[(3-ethyl-2-hydroxy-5-methylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methylphenol;diacetate
CID 159395271
2-[[2-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]cyclopentyl]iminomethyl]-4,6-bis(2-methylpropyl)phenol
CID 137079153
cobalt(2+);2-ethyl-6-[[3-[(3-ethyl-2-hydroxy-5-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-propan-2-ylphenol;diacetate
CID 173034011
4-butyl-2-tert-butyl-6-[[2-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
CID 137079191
cobalt(2+);2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol;diacetate
CID 159447918
cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclopentyl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
CID 173033867
4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
CID 137148214
cobalt(2+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;diacetate
CID 173167408

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate?
The IUPAC name of cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate (CID 160753336) is cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate.
What is the SMILES notation for cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate?
The canonical SMILES for cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate is CC(=O)[O-].CC(=O)[O-].CCCc1cc(/C=N/C2CCCC2/N=C/c2cc(CCC)cc(CC)c2O)c(O)c(CC)c1.[Co+2].
What is the InChIKey of cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate?
The InChIKey is RXCLOTWVQSTSEA-HOZDODFKSA-L. The full InChI is InChI=1S/C29H40N2O2.2C2H4O2.Co/c1-5-10-20-14-22(7-3)28(32)24(16-20)18-30-26-12-9-13-27(26)31-19-25-17-21(11-6-2)15-23(8-4)29(25)33;2*1-2(3)4;/h14-19,26-27,32-33H,5-13H2,1-4H3;2*1H3,(H,3,4);/q;;;+2/p-2/b30-18+,31-19+;;;.
What are the key properties of cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate?
cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate has a molecular weight of 625.67 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate is sourced from PubChem (CID 160753336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).