1,2-bis(2-methoxyethoxy)propane;prop-1-ene

C₁₂H₂₆O₄ — CID 87503390

About 1,2-bis(2-methoxyethoxy)propane;prop-1-ene

1,2-bis(2-methoxyethoxy)propane;prop-1-ene (PubChem CID 87503390) has the molecular formula C₁₂H₂₆O₄ and a molecular weight of 234.34 g/mol. Its IUPAC name is 1,2-bis(2-methoxyethoxy)propane;prop-1-ene.

Molecular Properties

• Compound Name: 1,2-bis(2-methoxyethoxy)propane;prop-1-ene
• PubChem CID: 87503390
• Molecular Formula: C₁₂H₂₆O₄
• Molecular Weight: 234.34 g/mol
• Exact Mass: 234.18
• IUPAC Name: 1,2-bis(2-methoxyethoxy)propane;prop-1-ene
• SMILES: C=CC.COCCOCC(C)OCCOC
• InChI: InChI=1S/C9H20O4.C3H6/c1-9(13-7-5-11-3)8-12-6-4-10-2;1-3-2/h9H,4-8H2,1-3H3;3H,1H2,2H3
• InChIKey: UMZRPAMOUXJYID-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.34
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methoxyethoxy)propane;prop-1-ene?

The IUPAC name of 1,2-bis(2-methoxyethoxy)propane;prop-1-ene (CID 87503390) is 1,2-bis(2-methoxyethoxy)propane;prop-1-ene.

What is the SMILES notation for 1,2-bis(2-methoxyethoxy)propane;prop-1-ene?

The canonical SMILES for 1,2-bis(2-methoxyethoxy)propane;prop-1-ene is C=CC.COCCOCC(C)OCCOC.

What is the InChIKey of 1,2-bis(2-methoxyethoxy)propane;prop-1-ene?

The InChIKey is UMZRPAMOUXJYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C3H6/c1-9(13-7-5-11-3)8-12-6-4-10-2;1-3-2/h9H,4-8H2,1-3H3;3H,1H2,2H3.

What are the key properties of 1,2-bis(2-methoxyethoxy)propane;prop-1-ene?

1,2-bis(2-methoxyethoxy)propane;prop-1-ene has a molecular weight of 234.34 g/mol, XLogP of 1.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-bis(2-methoxyethoxy)propane;prop-1-ene is sourced from PubChem (CID 87503390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87503390 — identifiers, structure, computed properties (public domain)

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