2-(2-ethoxyethoxy)ethyl acetate

C8H16O4 — CID 8165

IUPAC2-(2-ethoxyethoxy)ethyl acetate
SMILESCCOCCOCCOC(C)=O
InChIInChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3
InChIKeyFPZWZCWUIYYYBU-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.60
Rot. Bonds7

About 2-(2-ethoxyethoxy)ethyl acetate

2-(2-ethoxyethoxy)ethyl acetate (PubChem CID 8165) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl acetate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl acetate
PubChem CID8165
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2-(2-ethoxyethoxy)ethyl acetate
SMILESCCOCCOCCOC(C)=O
InChIInChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3
InChIKeyFPZWZCWUIYYYBU-UHFFFAOYSA-N
XLogP0.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl acetate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl acetate (CID 8165) is 2-(2-ethoxyethoxy)ethyl acetate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl acetate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl acetate is CCOCCOCCOC(C)=O.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl acetate?
The InChIKey is FPZWZCWUIYYYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl acetate?
2-(2-ethoxyethoxy)ethyl acetate has a molecular weight of 176.21 g/mol, XLogP of 0.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl acetate is sourced from PubChem (CID 8165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).