2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol

C28H42N2O2Si2 — CID 137085239

IUPAC2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol
SMILESCc1cc([Si](C)(C)C)cc(/C=N/C2CCCC(/N=C/c3cc([Si](C)(C)C)cc(C)c3O)C2)c1O
InChIInChI=1S/C28H42N2O2Si2/c1-19-12-25(33(3,4)5)14-21(27(19)31)17-29-23-10-9-11-24(16-23)30-18-22-15-26(34(6,7)8)13-20(2)28(22)32/h12-15,17-18,23-24,31-32H,9-11,16H2,1-8H3/b29-17+,30-18+
InChIKeyJHPIXTVBCINJLQ-YAGSLNJISA-N
MW494.83 g/mol
LogP5.65
Rot. Bonds6

About 2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol

2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol (PubChem CID 137085239) has the molecular formula C28H42N2O2Si2 and a molecular weight of 494.83 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol
PubChem CID137085239
Molecular FormulaC28H42N2O2Si2
Molecular Weight494.83 g/mol
Exact Mass494.28
IUPAC Name2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol
SMILESCc1cc([Si](C)(C)C)cc(/C=N/C2CCCC(/N=C/c3cc([Si](C)(C)C)cc(C)c3O)C2)c1O
InChIInChI=1S/C28H42N2O2Si2/c1-19-12-25(33(3,4)5)14-21(27(19)31)17-29-23-10-9-11-24(16-23)30-18-22-15-26(34(6,7)8)13-20(2)28(22)32/h12-15,17-18,23-24,31-32H,9-11,16H2,1-8H3/b29-17+,30-18+
InChIKeyJHPIXTVBCINJLQ-YAGSLNJISA-N
XLogP5.65
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.83
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol?
The IUPAC name of 2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol (CID 137085239) is 2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol.
What is the SMILES notation for 2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol?
The canonical SMILES for 2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol is Cc1cc([Si](C)(C)C)cc(/C=N/C2CCCC(/N=C/c3cc([Si](C)(C)C)cc(C)c3O)C2)c1O.
What is the InChIKey of 2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol?
The InChIKey is JHPIXTVBCINJLQ-YAGSLNJISA-N. The full InChI is InChI=1S/C28H42N2O2Si2/c1-19-12-25(33(3,4)5)14-21(27(19)31)17-29-23-10-9-11-24(16-23)30-18-22-15-26(34(6,7)8)13-20(2)28(22)32/h12-15,17-18,23-24,31-32H,9-11,16H2,1-8H3/b29-17+,30-18+.
What are the key properties of 2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol?
2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol has a molecular weight of 494.83 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]cyclohexyl]iminomethyl]-6-methyl-4-trimethylsilylphenol is sourced from PubChem (CID 137085239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).