1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane

C16H32O7 — CID 159060039

About 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane

1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane (PubChem CID 159060039) has the molecular formula C16H32O7 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane.

Molecular Properties

• Compound Name: 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
• PubChem CID: 159060039
• Molecular Formula: C16H32O7
• Molecular Weight: 336.43 g/mol
• Exact Mass: 336.21
• IUPAC Name: 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane
• SMILES: C=COCC(COCCOC)(COCCOC)COCCOC
• InChI: InChI=1S/C16H32O7/c1-5-20-12-16(13-21-9-6-17-2,14-22-10-7-18-3)15-23-11-8-19-4/h5H,1,6-15H2,2-4H3
• InChIKey: VQVCIEMGZDPIGD-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.43
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane?

The IUPAC name of 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane (CID 159060039) is 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane.

What is the SMILES notation for 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane?

The canonical SMILES for 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane is C=COCC(COCCOC)(COCCOC)COCCOC.

What is the InChIKey of 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane?

The InChIKey is VQVCIEMGZDPIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O7/c1-5-20-12-16(13-21-9-6-17-2,14-22-10-7-18-3)15-23-11-8-19-4/h5H,1,6-15H2,2-4H3.

What are the key properties of 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane?

1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane has a molecular weight of 336.43 g/mol, XLogP of 1.12, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenoxy-3-(2-methoxyethoxy)-2,2-bis(2-methoxyethoxymethyl)propane is sourced from PubChem (CID 159060039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).