bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane

C262H350F24N22O37 — CID 160748752

About bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane

bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane (PubChem CID 160748752) has the molecular formula C262H350F24N22O37 and a molecular weight of 4855.75 g/mol. Its IUPAC name is bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane.

Molecular Properties

• Compound Name: bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane
• PubChem CID: 160748752
• Molecular Formula: C262H350F24N22O37
• Molecular Weight: 4855.75 g/mol
• Exact Mass: 4852.58
• IUPAC Name: bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane
• SMILES: C.C.C/C=C/COc1cc(C)c(OCOc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(CC)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(CC)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(CC)=NOC)cn2)c(C)c1.C=C.C=C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
• InChI: InChI=1S/2C22H28N2O4.C22H28N2O3.2C21H23F3N2O4.6C21H23F3N2O3.11C2H6.2C2H4.2CH4/c2*1-6-8-11-26-19-12-16(3)22(17(4)13-19)28-15-27-21-10-9-18(14-23-21)20(7-2)24-25-5;1-6-8-11-26-20-12-16(3)22(17(4)13-20)27-15-19-10-9-18(14-23-19)21(7-2)24-25-5;2*1-5-6-9-28-17-10-14(2)19(15(3)11-17)30-13-29-18-8-7-16(12-25-18)20(26-27-4)21(22,23)24;6*1-5-6-9-28-18-10-14(2)19(15(3)11-18)29-13-17-8-7-16(12-25-17)20(26-27-4)21(22,23)24;13*1-2;;/h2*6,8-10,12-14H,7,11,15H2,1-5H3;6,8-10,12-14H,7,11,15H2,1-5H3;2*5-8,10-12H,9,13H2,1-4H3;6*5-8,10-12H,9,13H2,1-4H3;11*1-2H3;2*1-2H2;2*1H4/b2*8-6+,24-20?;8-6+,24-21?;8*6-5+,26-20?
• InChIKey: RWNMYGCHWRYWHK-LNQJRJCJSA-N
• XLogP: 69.65
• TPSA: 619.26 Ų
• H-Bond Acceptors: 59
• Rotatable Bonds: 95
• Heavy Atoms: 345
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4855.75
LogP ≤ 5	69.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	59

Frequently Asked Questions

What is the IUPAC name of bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane?

The IUPAC name of bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane (CID 160748752) is bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane.

What is the SMILES notation for bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane?

The canonical SMILES for bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane is C.C.C/C=C/COc1cc(C)c(OCOc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(CC)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCOc2ccc(C(CC)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(=NOC)C(F)(F)F)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCc2ccc(C(CC)=NOC)cn2)c(C)c1.C=C.C=C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.

What is the InChIKey of bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane?

The InChIKey is RWNMYGCHWRYWHK-LNQJRJCJSA-N. The full InChI is InChI=1S/2C22H28N2O4.C22H28N2O3.2C21H23F3N2O4.6C21H23F3N2O3.11C2H6.2C2H4.2CH4/c2*1-6-8-11-26-19-12-16(3)22(17(4)13-19)28-15-27-21-10-9-18(14-23-21)20(7-2)24-25-5;1-6-8-11-26-20-12-16(3)22(17(4)13-20)27-15-19-10-9-18(14-23-19)21(7-2)24-25-5;2*1-5-6-9-28-17-10-14(2)19(15(3)11-17)30-13-29-18-8-7-16(12-25-18)20(26-27-4)21(22,23)24;6*1-5-6-9-28-18-10-14(2)19(15(3)11-18)29-13-17-8-7-16(12-25-17)20(26-27-4)21(22,23)24;13*1-2;;/h2*6,8-10,12-14H,7,11,15H2,1-5H3;6,8-10,12-14H,7,11,15H2,1-5H3;2*5-8,10-12H,9,13H2,1-4H3;6*5-8,10-12H,9,13H2,1-4H3;11*1-2H3;2*1-2H2;2*1H4/b2*8-6+,24-20?;8-6+,24-21?;8*6-5+,26-20?;;;;;;;;;;;;;;;.

What are the key properties of bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane?

bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane has a molecular weight of 4855.75 g/mol, XLogP of 69.65, 95 rotatable bonds, 0 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-N-methoxypropan-1-imine);bis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methoxy]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-N-methoxypropan-1-imine;hexakis(1-[6-[[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]methyl]-3-pyridinyl]-2,2,2-trifluoro-N-methoxyethanimine);ethane;ethene;methane is sourced from PubChem (CID 160748752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).