1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene

C125H182O12 — CID 158039049

About 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene

1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 158039049) has the molecular formula C125H182O12 and a molecular weight of 1876.82 g/mol. Its IUPAC name is 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

• Compound Name: 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
• PubChem CID: 158039049
• Molecular Formula: C125H182O12
• Molecular Weight: 1876.82 g/mol
• Exact Mass: 1875.36
• IUPAC Name: 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
• SMILES: C=CC(C=C)OCCC.C=CCC(CC=C)OCCCCC.C=Cc1ccc(OCCC)cc1.C=Cc1ccc(OCCCCCCCCOC)cc1.C=Cc1cccc(OCCCCCCOC)c1.CCCCCCCOc1ccc2c(c1)CC2.CCCCCCOc1ccc2c(c1)CC2.CCCc1ccc2c(c1)CC2.COCCCCOc1ccc2c(c1)CC2.COc1ccc2c(c1)CC2
• InChI: InChI=1S/C17H26O2.C15H22O2.C15H22O.C14H20O.C13H18O2.C12H22O.C11H14O.C11H14.C9H10O.C8H14O/c1-3-16-10-12-17(13-11-16)19-15-9-7-5-4-6-8-14-18-2;1-3-14-9-8-10-15(13-14)17-12-7-5-4-6-11-16-2;1-2-3-4-5-6-11-16-15-10-9-13-7-8-14(13)12-15;1-2-3-4-5-10-15-14-9-8-12-6-7-13(12)11-14;1-14-8-2-3-9-15-13-7-6-11-4-5-12(11)10-13;1-4-7-8-11-13-12(9-5-2)10-6-3;1-3-9-12-11-7-5-10(4-2)6-8-11;1-2-3-9-4-5-10-6-7-11(10)8-9;1-10-9-5-4-7-2-3-8(7)6-9;1-4-7-9-8(5-2)6-3/h3,10-13H,1,4-9,14-15H2,2H3;3,8-10,13H,1,4-7,11-12H2,2H3;9-10,12H,2-8,11H2,1H3;8-9,11H,2-7,10H2,1H3;6-7,10H,2-5,8-9H2,1H3;5-6,12H,2-4,7-11H2,1H3;4-8H,2-3,9H2,1H3;4-5,8H,2-3,6-7H2,1H3;4-6H,2-3H2,1H3;5-6,8H,2-4,7H2,1H3
• InChIKey: FICWXVKXFHSNDS-UHFFFAOYSA-N
• XLogP: 32.60
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 60
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.82
LogP ≤ 5	32.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene?

The IUPAC name of 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene (CID 158039049) is 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene.

What is the SMILES notation for 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene?

The canonical SMILES for 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene is C=CC(C=C)OCCC.C=CCC(CC=C)OCCCCC.C=Cc1ccc(OCCC)cc1.C=Cc1ccc(OCCCCCCCCOC)cc1.C=Cc1cccc(OCCCCCCOC)c1.CCCCCCCOc1ccc2c(c1)CC2.CCCCCCOc1ccc2c(c1)CC2.CCCc1ccc2c(c1)CC2.COCCCCOc1ccc2c(c1)CC2.COc1ccc2c(c1)CC2.

What is the InChIKey of 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene?

The InChIKey is FICWXVKXFHSNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2.C15H22O2.C15H22O.C14H20O.C13H18O2.C12H22O.C11H14O.C11H14.C9H10O.C8H14O/c1-3-16-10-12-17(13-11-16)19-15-9-7-5-4-6-8-14-18-2;1-3-14-9-8-10-15(13-14)17-12-7-5-4-6-11-16-2;1-2-3-4-5-6-11-16-15-10-9-13-7-8-14(13)12-15;1-2-3-4-5-10-15-14-9-8-12-6-7-13(12)11-14;1-14-8-2-3-9-15-13-7-6-11-4-5-12(11)10-13;1-4-7-8-11-13-12(9-5-2)10-6-3;1-3-9-12-11-7-5-10(4-2)6-8-11;1-2-3-9-4-5-10-6-7-11(10)8-9;1-10-9-5-4-7-2-3-8(7)6-9;1-4-7-9-8(5-2)6-3/h3,10-13H,1,4-9,14-15H2,2H3;3,8-10,13H,1,4-7,11-12H2,2H3;9-10,12H,2-8,11H2,1H3;8-9,11H,2-7,10H2,1H3;6-7,10H,2-5,8-9H2,1H3;5-6,12H,2-4,7-11H2,1H3;4-8H,2-3,9H2,1H3;4-5,8H,2-3,6-7H2,1H3;4-6H,2-3H2,1H3;5-6,8H,2-4,7H2,1H3.

What are the key properties of 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene?

1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 1876.82 g/mol, XLogP of 32.60, 60 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 158039049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).