4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene

C₂₀H₃₈O — CID 56634113

About 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene

4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene (PubChem CID 56634113) has the molecular formula C₂₀H₃₈O and a molecular weight of 294.52 g/mol. Its IUPAC name is 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene.

Molecular Properties

• Compound Name: 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene
• PubChem CID: 56634113
• Molecular Formula: C₂₀H₃₈O
• Molecular Weight: 294.52 g/mol
• Exact Mass: 294.29
• IUPAC Name: 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene
• SMILES: C=C(CC(CC)CCCC)OC(=C)CC(CC)CCCC
• InChI: InChI=1S/C20H38O/c1-7-11-13-19(9-3)15-17(5)21-18(6)16-20(10-4)14-12-8-2/h19-20H,5-16H2,1-4H3
• InChIKey: MFSDWORFQAFYAA-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	294.52
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene?

The IUPAC name of 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene (CID 56634113) is 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene.

What is the SMILES notation for 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene?

The canonical SMILES for 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene is C=C(CC(CC)CCCC)OC(=C)CC(CC)CCCC.

What is the InChIKey of 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene?

The InChIKey is MFSDWORFQAFYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-7-11-13-19(9-3)15-17(5)21-18(6)16-20(10-4)14-12-8-2/h19-20H,5-16H2,1-4H3.

What are the key properties of 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene?

4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene has a molecular weight of 294.52 g/mol, XLogP of 7.24, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-2-(4-ethyloct-1-en-2-yloxy)oct-1-ene is sourced from PubChem (CID 56634113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 56634113 — identifiers, structure, computed properties (public domain)

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