2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol

C7H12O4 — CID 154344127

About 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol

2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol (PubChem CID 154344127) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol
• PubChem CID: 154344127
• Molecular Formula: C7H12O4
• Molecular Weight: 160.17 g/mol
• Exact Mass: 160.07
• IUPAC Name: 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol
• SMILES: OCCOCCC1OC=CO1
• InChI: InChI=1S/C7H12O4/c8-2-4-9-3-1-7-10-5-6-11-7/h5-8H,1-4H2
• InChIKey: AQJKXQVKVVZFHL-UHFFFAOYSA-N
• XLogP: 0.23
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	160.17
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol?

The IUPAC name of 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol (CID 154344127) is 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol.

What is the SMILES notation for 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol?

The canonical SMILES for 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol is OCCOCCC1OC=CO1.

What is the InChIKey of 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol?

The InChIKey is AQJKXQVKVVZFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c8-2-4-9-3-1-7-10-5-6-11-7/h5-8H,1-4H2.

What are the key properties of 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol?

2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol has a molecular weight of 160.17 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol is sourced from PubChem (CID 154344127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).