2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol

C₁₃H₂₄O₄ — CID 151640617

About 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol

2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol (PubChem CID 151640617) has the molecular formula C₁₃H₂₄O₄ and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol.

Molecular Properties

• Compound Name: 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol
• PubChem CID: 151640617
• Molecular Formula: C₁₃H₂₄O₄
• Molecular Weight: 244.33 g/mol
• Exact Mass: 244.17
• IUPAC Name: 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol
• SMILES: CC1OC(C)C(C)(CCCOC=CO)OC1C
• InChI: InChI=1S/C13H24O4/c1-10-11(2)17-13(4,12(3)16-10)6-5-8-15-9-7-14/h7,9-12,14H,5-6,8H2,1-4H3
• InChIKey: QSLHDJXQJHXIDJ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.33
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol?

The IUPAC name of 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol (CID 151640617) is 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol.

What is the SMILES notation for 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol?

The canonical SMILES for 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol is CC1OC(C)C(C)(CCCOC=CO)OC1C.

What is the InChIKey of 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol?

The InChIKey is QSLHDJXQJHXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-10-11(2)17-13(4,12(3)16-10)6-5-8-15-9-7-14/h7,9-12,14H,5-6,8H2,1-4H3.

What are the key properties of 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol?

2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol has a molecular weight of 244.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol is sourced from PubChem (CID 151640617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151640617 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.