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

C28H48O6 — CID 156647415

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

1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane (PubChem CID 156647415) has the molecular formula C28H48O6 and a molecular weight of 480.69 g/mol. Its IUPAC name is 1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane.

Molecular Properties

• Compound Name: 1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane
• PubChem CID: 156647415
• Molecular Formula: C28H48O6
• Molecular Weight: 480.69 g/mol
• Exact Mass: 480.35
• IUPAC Name: 1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane
• SMILES: CC.COCC(C)OCC(C)O/C=C(\C)c1cccc(/C(C)=C/OC(C)COC(C)COC)c1
• InChI: InChI=1S/C26H42O6.C2H6/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;1-2/h9-14,21-24H,15-18H2,1-8H3;1-2H3/b19-13+,20-14+
• InChIKey: DPBNAFZQIZYXLH-WKLZLTIDSA-N
• XLogP: 6.35
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.69
LogP ≤ 5	6.35
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 1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane?

The IUPAC name of 1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane (CID 156647415) is 1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane.

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

The canonical SMILES for 1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane is CC.COCC(C)OCC(C)O/C=C(\C)c1cccc(/C(C)=C/OC(C)COC(C)COC)c1.

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

The InChIKey is DPBNAFZQIZYXLH-WKLZLTIDSA-N. The full InChI is InChI=1S/C26H42O6.C2H6/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;1-2/h9-14,21-24H,15-18H2,1-8H3;1-2H3/b19-13+,20-14+;.

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

1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane has a molecular weight of 480.69 g/mol, XLogP of 6.35, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[(E)-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene;ethane is sourced from PubChem (CID 156647415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).