1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane

C167H250N12O23 — CID 159592563

About 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane

1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane (PubChem CID 159592563) has the molecular formula C167H250N12O23 and a molecular weight of 2793.90 g/mol. Its IUPAC name is 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane.

Molecular Properties

• Compound Name: 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane
• PubChem CID: 159592563
• Molecular Formula: C167H250N12O23
• Molecular Weight: 2793.90 g/mol
• Exact Mass: 2791.88
• IUPAC Name: 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane
• SMILES: C/C=C/COc1cc(C)c(OC(C)c2ccc(C(C)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCCCOc2ccc(C(C)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCCOc2ccc(C(C)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCOc2ccc(C(C)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCOc2ccc(C(C)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCOc2ccc(C(C)=NOC)cn2)c(C)c1.CC.CC.CC.CC.CC.CC
• InChI: InChI=1S/C29H42N2O4.C28H40N2O4.C27H38N2O4.C25H34N2O4.C24H32N2O4.C22H28N2O3.6C2H6/c1-6-7-17-33-27-20-23(2)29(24(3)21-27)35-19-14-12-10-8-9-11-13-18-34-28-16-15-26(22-30-28)25(4)31-32-5;1-6-7-16-32-26-19-22(2)28(23(3)20-26)34-18-13-11-9-8-10-12-17-33-27-15-14-25(21-29-27)24(4)30-31-5;1-6-7-15-31-25-18-21(2)27(22(3)19-25)33-17-12-10-8-9-11-16-32-26-14-13-24(20-28-26)23(4)29-30-5;1-6-7-13-29-23-16-19(2)25(20(3)17-23)31-15-10-8-9-14-30-24-12-11-22(18-26-24)21(4)27-28-5;1-6-7-12-28-22-15-18(2)24(19(3)16-22)30-14-9-8-13-29-23-11-10-21(17-25-23)20(4)26-27-5;1-7-8-11-26-20-12-15(2)22(16(3)13-20)27-18(5)21-10-9-19(14-23-21)17(4)24-25-6;6*1-2/h6-7,15-16,20-22H,8-14,17-19H2,1-5H3;6-7,14-15,19-21H,8-13,16-18H2,1-5H3;6-7,13-14,18-20H,8-12,15-17H2,1-5H3;6-7,11-12,16-18H,8-10,13-15H2,1-5H3;6-7,10-11,15-17H,8-9,12-14H2,1-5H3;7-10,12-14,18H,11H2,1-6H3;6*1-2H3/b7-6+,31-25?;7-6+,30-24?;7-6+,29-23?;7-6+,27-21?;7-6+,26-20?;8-7+,24-17?
• InChIKey: MKKROVQRTHQLRW-CGNXBMBRSA-N
• XLogP: 42.70
• TPSA: 363.79 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 81
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2793.90
LogP ≤ 5	42.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane?

The IUPAC name of 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane (CID 159592563) is 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane.

What is the SMILES notation for 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane?

The canonical SMILES for 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane is C/C=C/COc1cc(C)c(OC(C)c2ccc(C(C)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCCCOc2ccc(C(C)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCCOc2ccc(C(C)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCCCOc2ccc(C(C)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCCOc2ccc(C(C)=NOC)cn2)c(C)c1.C/C=C/COc1cc(C)c(OCCCCOc2ccc(C(C)=NOC)cn2)c(C)c1.CC.CC.CC.CC.CC.CC.

What is the InChIKey of 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane?

The InChIKey is MKKROVQRTHQLRW-CGNXBMBRSA-N. The full InChI is InChI=1S/C29H42N2O4.C28H40N2O4.C27H38N2O4.C25H34N2O4.C24H32N2O4.C22H28N2O3.6C2H6/c1-6-7-17-33-27-20-23(2)29(24(3)21-27)35-19-14-12-10-8-9-11-13-18-34-28-16-15-26(22-30-28)25(4)31-32-5;1-6-7-16-32-26-19-22(2)28(23(3)20-26)34-18-13-11-9-8-10-12-17-33-27-15-14-25(21-29-27)24(4)30-31-5;1-6-7-15-31-25-18-21(2)27(22(3)19-25)33-17-12-10-8-9-11-16-32-26-14-13-24(20-28-26)23(4)29-30-5;1-6-7-13-29-23-16-19(2)25(20(3)17-23)31-15-10-8-9-14-30-24-12-11-22(18-26-24)21(4)27-28-5;1-6-7-12-28-22-15-18(2)24(19(3)16-22)30-14-9-8-13-29-23-11-10-21(17-25-23)20(4)26-27-5;1-7-8-11-26-20-12-15(2)22(16(3)13-20)27-18(5)21-10-9-19(14-23-21)17(4)24-25-6;6*1-2/h6-7,15-16,20-22H,8-14,17-19H2,1-5H3;6-7,14-15,19-21H,8-13,16-18H2,1-5H3;6-7,13-14,18-20H,8-12,15-17H2,1-5H3;6-7,11-12,16-18H,8-10,13-15H2,1-5H3;6-7,10-11,15-17H,8-9,12-14H2,1-5H3;7-10,12-14,18H,11H2,1-6H3;6*1-2H3/b7-6+,31-25?;7-6+,30-24?;7-6+,29-23?;7-6+,27-21?;7-6+,26-20?;8-7+,24-17?;;;;;;.

What are the key properties of 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane?

1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane has a molecular weight of 2793.90 g/mol, XLogP of 42.70, 81 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[4-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]butoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[1-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]ethyl]-3-pyridinyl]-N-methoxyethanimine;1-[6-[7-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]heptoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[9-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]nonoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[8-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]octoxy]-3-pyridinyl]-N-methoxyethanimine;1-[6-[5-[4-[(E)-but-2-enoxy]-2,6-dimethylphenoxy]pentoxy]-3-pyridinyl]-N-methoxyethanimine;ethane is sourced from PubChem (CID 159592563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).