4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate

C32H44CoN2O6 — CID 173034000

IUPAC4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCc1ccc(O)c(/C=N/C2CCCC(/N=C/c3cc(CCCC)ccc3O)C2)c1.[Co+2]
InChIInChI=1S/C28H38N2O2.2C2H4O2.Co/c1-3-5-8-21-12-14-27(31)23(16-21)19-29-25-10-7-11-26(18-25)30-20-24-17-22(9-6-4-2)13-15-28(24)32;2*1-2(3)4;/h12-17,19-20,25-26,31-32H,3-11,18H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2/b29-19+,30-20+;;;
InChIKeySNJCDKWHYYTOSP-PEXCPJROSA-L
MW611.65 g/mol
LogP4.14
Rot. Bonds10

About 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate

4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate (PubChem CID 173034000) has the molecular formula C32H44CoN2O6 and a molecular weight of 611.65 g/mol. Its IUPAC name is 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate.

Molecular Properties

Compound Name4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate
PubChem CID173034000
Molecular FormulaC32H44CoN2O6
Molecular Weight611.65 g/mol
Exact Mass611.25
IUPAC Name4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate
SMILESCC(=O)[O-].CC(=O)[O-].CCCCc1ccc(O)c(/C=N/C2CCCC(/N=C/c3cc(CCCC)ccc3O)C2)c1.[Co+2]
InChIInChI=1S/C28H38N2O2.2C2H4O2.Co/c1-3-5-8-21-12-14-27(31)23(16-21)19-29-25-10-7-11-26(18-25)30-20-24-17-22(9-6-4-2)13-15-28(24)32;2*1-2(3)4;/h12-17,19-20,25-26,31-32H,3-11,18H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2/b29-19+,30-20+;;;
InChIKeySNJCDKWHYYTOSP-PEXCPJROSA-L
XLogP4.14
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.65
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate with MolForge

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Related Compounds

4-decyl-2-[[(1S)-2-[(5-dodecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 140600939
2-[[(1S,2R)-2-[(5-dodecyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-octylphenol
CID 140600781
2-[[3-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4,6-dipropylphenol
CID 137047481
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-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylideneamino]cyclopentyl]iminomethyl]phenol
CID 137148214
cobalt(2+);2-ethyl-6-[[2-[(3-ethyl-2-hydroxy-5-propylphenyl)methylideneamino]cyclopentyl]iminomethyl]-4-propylphenol;diacetate
CID 160753336
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-ethylphenol;diacetate
CID 161045530
4-dodecyl-2-[(E)-hydroxyiminomethyl]phenol
CID 135441937
2-[2-[(2-hydroxy-5-icosylphenyl)methylideneamino]ethyliminomethyl]-4-icosylphenol
CID 136835691
cobalt(2+);2-[[3-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate
CID 159980063
cobalt(2+);2-[[3-[[2-hydroxy-5-(3-methylbutyl)-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-4-(3-methylbutyl)-6-propan-2-ylphenol;diacetate
CID 160926694
4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]cyclohexyl]iminomethyl]phenol
CID 137081890

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate?
The IUPAC name of 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate (CID 173034000) is 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate.
What is the SMILES notation for 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate?
The canonical SMILES for 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate is CC(=O)[O-].CC(=O)[O-].CCCCc1ccc(O)c(/C=N/C2CCCC(/N=C/c3cc(CCCC)ccc3O)C2)c1.[Co+2].
What is the InChIKey of 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate?
The InChIKey is SNJCDKWHYYTOSP-PEXCPJROSA-L. The full InChI is InChI=1S/C28H38N2O2.2C2H4O2.Co/c1-3-5-8-21-12-14-27(31)23(16-21)19-29-25-10-7-11-26(18-25)30-20-24-17-22(9-6-4-2)13-15-28(24)32;2*1-2(3)4;/h12-17,19-20,25-26,31-32H,3-11,18H2,1-2H3;2*1H3,(H,3,4);/q;;;+2/p-2/b29-19+,30-20+;;;.
What are the key properties of 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate?
4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate has a molecular weight of 611.65 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-[[3-[(5-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;cobalt(2+);diacetate is sourced from PubChem (CID 173034000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).