2-(2-methoxyethoxy)ethyl acetate

C7H14O4 — CID 12384

IUPAC2-(2-methoxyethoxy)ethyl acetate
SMILESCOCCOCCOC(C)=O
InChIInChI=1S/C7H14O4/c1-7(8)11-6-5-10-4-3-9-2/h3-6H2,1-2H3
InChIKeyBJINVQNEBGOMCR-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.21
Rot. Bonds6

About 2-(2-methoxyethoxy)ethyl acetate

2-(2-methoxyethoxy)ethyl acetate (PubChem CID 12384) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl acetate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl acetate
PubChem CID12384
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name2-(2-methoxyethoxy)ethyl acetate
SMILESCOCCOCCOC(C)=O
InChIInChI=1S/C7H14O4/c1-7(8)11-6-5-10-4-3-9-2/h3-6H2,1-2H3
InChIKeyBJINVQNEBGOMCR-UHFFFAOYSA-N
XLogP0.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.21
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-methoxyethoxy)ethyl acetate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl acetate (CID 12384) is 2-(2-methoxyethoxy)ethyl acetate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl acetate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl acetate is COCCOCCOC(C)=O.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl acetate?
The InChIKey is BJINVQNEBGOMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-7(8)11-6-5-10-4-3-9-2/h3-6H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl acetate?
2-(2-methoxyethoxy)ethyl acetate has a molecular weight of 162.19 g/mol, XLogP of 0.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl acetate is sourced from PubChem (CID 12384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).