2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane

C₁₇H₃₂O₅ — CID 151496914

About 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane

2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane (PubChem CID 151496914) has the molecular formula C₁₇H₃₂O₅ and a molecular weight of 316.44 g/mol. Its IUPAC name is 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane.

Molecular Properties

• Compound Name: 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane
• PubChem CID: 151496914
• Molecular Formula: C₁₇H₃₂O₅
• Molecular Weight: 316.44 g/mol
• Exact Mass: 316.22
• IUPAC Name: 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane
• SMILES: CC=COCCCC1(OCC)CCCOC1(OCC)OCC
• InChI: InChI=1S/C17H32O5/c1-5-13-18-14-9-11-16(19-6-2)12-10-15-22-17(16,20-7-3)21-8-4/h5,13H,6-12,14-15H2,1-4H3
• InChIKey: PPPMDJZJWVOLKL-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.44
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane?

The IUPAC name of 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane (CID 151496914) is 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane.

What is the SMILES notation for 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane?

The canonical SMILES for 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane is CC=COCCCC1(OCC)CCCOC1(OCC)OCC.

What is the InChIKey of 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane?

The InChIKey is PPPMDJZJWVOLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5/c1-5-13-18-14-9-11-16(19-6-2)12-10-15-22-17(16,20-7-3)21-8-4/h5,13H,6-12,14-15H2,1-4H3.

What are the key properties of 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane?

2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane has a molecular weight of 316.44 g/mol, XLogP of 3.63, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3-triethoxy-3-(3-prop-1-enoxypropyl)oxane is sourced from PubChem (CID 151496914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151496914 — identifiers, structure, computed properties (public domain)

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