ethoxymethoxyethane

C5H12O2 — CID 10024

About ethoxymethoxyethane

ethoxymethoxyethane (PubChem CID 10024) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is ethoxymethoxyethane.

Molecular Properties

• Compound Name: ethoxymethoxyethane
• PubChem CID: 10024
• Molecular Formula: C5H12O2
• Molecular Weight: 104.15 g/mol
• Exact Mass: 104.08
• IUPAC Name: ethoxymethoxyethane
• SMILES: CCOCOCC
• InChI: InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
• InChIKey: KLKFAASOGCDTDT-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	104.15
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'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 ethoxymethoxyethane?

The IUPAC name of ethoxymethoxyethane (CID 10024) is ethoxymethoxyethane.

What is the SMILES notation for ethoxymethoxyethane?

The canonical SMILES for ethoxymethoxyethane is CCOCOCC.

What is the InChIKey of ethoxymethoxyethane?

The InChIKey is KLKFAASOGCDTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3.

What are the key properties of ethoxymethoxyethane?

ethoxymethoxyethane has a molecular weight of 104.15 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethoxymethoxyethane is sourced from PubChem (CID 10024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).