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

C32H54O8 — CID 175729187

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

1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]-3-[(Z)-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]benzene (PubChem CID 175729187) has the molecular formula C32H54O8 and a molecular weight of 566.78 g/mol. Its IUPAC name is 1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]-3-[(Z)-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]benzene.

Molecular Properties

• Compound Name: 1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]-3-[(Z)-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]benzene
• PubChem CID: 175729187
• Molecular Formula: C32H54O8
• Molecular Weight: 566.78 g/mol
• Exact Mass: 566.38
• IUPAC Name: 1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]-3-[(Z)-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]benzene
• SMILES: COCC(C)OCC(C)OCC(C)OC=C(C)c1cccc(/C(C)=C\OC(C)COC(C)COC(C)COC)c1
• InChI: InChI=1S/C32H54O8/c1-23(15-35-27(5)19-39-29(7)21-37-25(3)17-33-9)31-12-11-13-32(14-31)24(2)16-36-28(6)20-40-30(8)22-38-26(4)18-34-10/h11-16,25-30H,17-22H2,1-10H3/b23-15-,24-16?
• InChIKey: XBOCEALTJQQXGZ-NMWLGCIISA-N
• XLogP: 6.13
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.78
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]-3-[(Z)-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]benzene (CID 175729187) is 1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]-3-[(Z)-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]benzene.

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

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

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

The InChIKey is XBOCEALTJQQXGZ-NMWLGCIISA-N. The full InChI is InChI=1S/C32H54O8/c1-23(15-35-27(5)19-39-29(7)21-37-25(3)17-33-9)31-12-11-13-32(14-31)24(2)16-36-28(6)20-40-30(8)22-38-26(4)18-34-10/h11-16,25-30H,17-22H2,1-10H3/b23-15-,24-16?.

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

1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]-3-[(Z)-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]benzene has a molecular weight of 566.78 g/mol, XLogP of 6.13, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]-3-[(Z)-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]prop-1-en-2-yl]benzene is sourced from PubChem (CID 175729187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).