1,2,3,4-tetrakis(prop-1-enoxy)butane

C₁₆H₂₆O₄ — CID 54519891

About 1,2,3,4-tetrakis(prop-1-enoxy)butane

1,2,3,4-tetrakis(prop-1-enoxy)butane (PubChem CID 54519891) has the molecular formula C₁₆H₂₆O₄ and a molecular weight of 282.38 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(prop-1-enoxy)butane.

Molecular Properties

• Compound Name: 1,2,3,4-tetrakis(prop-1-enoxy)butane
• PubChem CID: 54519891
• Molecular Formula: C₁₆H₂₆O₄
• Molecular Weight: 282.38 g/mol
• Exact Mass: 282.18
• IUPAC Name: 1,2,3,4-tetrakis(prop-1-enoxy)butane
• SMILES: CC=COCC(OC=CC)C(COC=CC)OC=CC
• InChI: InChI=1S/C16H26O4/c1-5-9-17-13-15(19-11-7-3)16(20-12-8-4)14-18-10-6-2/h5-12,15-16H,13-14H2,1-4H3
• InChIKey: YPAQDGMKYTWVPK-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	282.38
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(prop-1-enoxy)butane?

The IUPAC name of 1,2,3,4-tetrakis(prop-1-enoxy)butane (CID 54519891) is 1,2,3,4-tetrakis(prop-1-enoxy)butane.

What is the SMILES notation for 1,2,3,4-tetrakis(prop-1-enoxy)butane?

The canonical SMILES for 1,2,3,4-tetrakis(prop-1-enoxy)butane is CC=COCC(OC=CC)C(COC=CC)OC=CC.

What is the InChIKey of 1,2,3,4-tetrakis(prop-1-enoxy)butane?

The InChIKey is YPAQDGMKYTWVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-5-9-17-13-15(19-11-7-3)16(20-12-8-4)14-18-10-6-2/h5-12,15-16H,13-14H2,1-4H3.

What are the key properties of 1,2,3,4-tetrakis(prop-1-enoxy)butane?

1,2,3,4-tetrakis(prop-1-enoxy)butane has a molecular weight of 282.38 g/mol, XLogP of 3.92, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4-tetrakis(prop-1-enoxy)butane is sourced from PubChem (CID 54519891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54519891 — identifiers, structure, computed properties (public domain)

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