[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane

C39H62N2O6Si — CID 159932209

About [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane

[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane (PubChem CID 159932209) has the molecular formula C39H62N2O6Si and a molecular weight of 683.02 g/mol. Its IUPAC name is [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane.

Molecular Properties

• Compound Name: [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane
• PubChem CID: 159932209
• Molecular Formula: C39H62N2O6Si
• Molecular Weight: 683.02 g/mol
• Exact Mass: 682.44
• IUPAC Name: [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane
• SMILES: C.CO[Si](C)(CCC(=O)Oc1cc(/C=N\[C@@H]2CCCC[C@H]2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1)OC
• InChI: InChI=1S/C38H58N2O6Si.CH4/c1-36(2,3)27-19-25(34(42)29(21-27)37(4,5)6)23-39-31-15-13-14-16-32(31)40-24-26-20-28(22-30(35(26)43)38(7,8)9)46-33(41)17-18-47(12,44-10)45-11;/h19-24,31-32,42-43H,13-18H2,1-12H3;1H4/b39-23+,40-24-;/t31-,32-;/m1./s1
• InChIKey: NZUBJZYRFNNKGL-QIJMXKAPSA-N
• XLogP: 9.14
• TPSA: 109.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.02
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane?

The IUPAC name of [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane (CID 159932209) is [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane.

What is the SMILES notation for [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane?

The canonical SMILES for [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane is C.CO[Si](C)(CCC(=O)Oc1cc(/C=N\[C@@H]2CCCC[C@H]2/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1)OC.

What is the InChIKey of [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane?

The InChIKey is NZUBJZYRFNNKGL-QIJMXKAPSA-N. The full InChI is InChI=1S/C38H58N2O6Si.CH4/c1-36(2,3)27-19-25(34(42)29(21-27)37(4,5)6)23-39-31-15-13-14-16-32(31)40-24-26-20-28(22-30(35(26)43)38(7,8)9)46-33(41)17-18-47(12,44-10)45-11;/h19-24,31-32,42-43H,13-18H2,1-12H3;1H4/b39-23+,40-24-;/t31-,32-;/m1./s1.

What are the key properties of [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane?

[3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane has a molecular weight of 683.02 g/mol, XLogP of 9.14, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-tert-butyl-5-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]-4-hydroxyphenyl] 3-[dimethoxy(methyl)silyl]propanoate;methane is sourced from PubChem (CID 159932209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).