1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene

C26H42O6 — CID 155649037

About 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene

1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene (PubChem CID 155649037) has the molecular formula C26H42O6 and a molecular weight of 450.62 g/mol. Its IUPAC name is 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene.

Molecular Properties

• Compound Name: 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene
• PubChem CID: 155649037
• Molecular Formula: C26H42O6
• Molecular Weight: 450.62 g/mol
• Exact Mass: 450.30
• IUPAC Name: 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene
• SMILES: C=C(COC(C)COC(C)COC)c1cccc(/C(C)=C/OC(C)COC(C)COC)c1
• InChI: InChI=1S/C26H42O6/c1-19(13-29-23(5)17-31-21(3)15-27-7)25-10-9-11-26(12-25)20(2)14-30-24(6)18-32-22(4)16-28-8/h9-12,14,21-24H,1,13,15-18H2,2-8H3/b20-14+
• InChIKey: FBUWZZMOEXCPBY-XSFVSMFZSA-N
• XLogP: 4.97
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.62
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?

The IUPAC name of 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene (CID 155649037) is 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene.

What is the SMILES notation for 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?

The canonical SMILES for 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene is C=C(COC(C)COC(C)COC)c1cccc(/C(C)=C/OC(C)COC(C)COC)c1.

What is the InChIKey of 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?

The InChIKey is FBUWZZMOEXCPBY-XSFVSMFZSA-N. The full InChI is InChI=1S/C26H42O6/c1-19(13-29-23(5)17-31-21(3)15-27-7)25-10-9-11-26(12-25)20(2)14-30-24(6)18-32-22(4)16-28-8/h9-12,14,21-24H,1,13,15-18H2,2-8H3/b20-14+.

What are the key properties of 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?

1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene has a molecular weight of 450.62 g/mol, XLogP of 4.97, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]-3-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene is sourced from PubChem (CID 155649037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).