1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene

C20H30O3 — CID 156647394

About 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene

1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene (PubChem CID 156647394) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene.

Molecular Properties

• Compound Name: 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene
• PubChem CID: 156647394
• Molecular Formula: C20H30O3
• Molecular Weight: 318.46 g/mol
• Exact Mass: 318.22
• IUPAC Name: 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene
• SMILES: C=C(COC(C)COC(C)COC)c1ccc(/C(C)=C/C)cc1
• InChI: InChI=1S/C20H30O3/c1-7-15(2)19-8-10-20(11-9-19)16(3)12-22-18(5)14-23-17(4)13-21-6/h7-11,17-18H,3,12-14H2,1-2,4-6H3/b15-7+
• InChIKey: FYAPBBDPFULCDC-VIZOYTHASA-N
• XLogP: 4.58
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.46
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?

The IUPAC name of 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene (CID 156647394) is 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene.

What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?

The canonical SMILES for 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene is C=C(COC(C)COC(C)COC)c1ccc(/C(C)=C/C)cc1.

What is the InChIKey of 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?

The InChIKey is FYAPBBDPFULCDC-VIZOYTHASA-N. The full InChI is InChI=1S/C20H30O3/c1-7-15(2)19-8-10-20(11-9-19)16(3)12-22-18(5)14-23-17(4)13-21-6/h7-11,17-18H,3,12-14H2,1-2,4-6H3/b15-7+.

What are the key properties of 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene?

1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene has a molecular weight of 318.46 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(E)-but-2-en-2-yl]-4-[3-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]prop-1-en-2-yl]benzene is sourced from PubChem (CID 156647394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).