Ethoxyethane;pentahydrate

C₄H₂₀O₆ — CID 141041283

About Ethoxyethane;pentahydrate

Ethoxyethane;pentahydrate (PubChem CID 141041283) has the molecular formula C₄H₂₀O₆ and a molecular weight of 164.20 g/mol. Its IUPAC name is ethoxyethane;pentahydrate.

Molecular Properties

• Compound Name: Ethoxyethane;pentahydrate
• PubChem CID: 141041283
• Molecular Formula: C₄H₂₀O₆
• Molecular Weight: 164.20 g/mol
• Exact Mass: 164.13
• IUPAC Name: ethoxyethane;pentahydrate
• SMILES: CCOCC.O.O.O.O.O
• InChI: InChI=1S/C4H10O.5H2O/c1-3-5-4-2;;;;;/h3-4H2,1-2H3;5*1H2
• InChIKey: YLCQNNNGJXKNCH-UHFFFAOYSA-N
• XLogP: -3.08
• TPSA: 166.73 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	164.20
LogP ≤ 5	-3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Ethoxyethane;pentahydrate?

The IUPAC name of Ethoxyethane;pentahydrate (CID 141041283) is ethoxyethane;pentahydrate.

What is the SMILES notation for Ethoxyethane;pentahydrate?

The canonical SMILES for Ethoxyethane;pentahydrate is CCOCC.O.O.O.O.O.

What is the InChIKey of Ethoxyethane;pentahydrate?

The InChIKey is YLCQNNNGJXKNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.5H2O/c1-3-5-4-2;;;;;/h3-4H2,1-2H3;5*1H2.

What are the key properties of Ethoxyethane;pentahydrate?

Ethoxyethane;pentahydrate has a molecular weight of 164.20 g/mol, XLogP of -3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ethoxyethane;pentahydrate is sourced from PubChem (CID 141041283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141041283 — identifiers, structure, computed properties (public domain)

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