2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate

C12H22O7 — CID 121008376

IUPAC2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
SMILESCCOCC(=O)OCCOCCOC(=O)COCC
InChIInChI=1S/C12H22O7/c1-3-15-9-11(13)18-7-5-17-6-8-19-12(14)10-16-4-2/h3-10H2,1-2H3
InChIKeyOPNMJQALEBKREI-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.16
Rot. Bonds12

About 2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate

2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate (PubChem CID 121008376) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate.

Molecular Properties

Compound Name2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
PubChem CID121008376
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
SMILESCCOCC(=O)OCCOCCOC(=O)COCC
InChIInChI=1S/C12H22O7/c1-3-15-9-11(13)18-7-5-17-6-8-19-12(14)10-16-4-2/h3-10H2,1-2H3
InChIKeyOPNMJQALEBKREI-UHFFFAOYSA-N
XLogP0.16
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
butyl 2-[2-[2-(2-butoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 18318669
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
benzene;ethyl 2-ethoxyacetate
CID 174867683
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
ethyl 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91696590
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
2-ethoxyethyl 2-fluoroacetate
CID 88537895

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate?
The IUPAC name of 2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate (CID 121008376) is 2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate.
What is the SMILES notation for 2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate?
The canonical SMILES for 2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate is CCOCC(=O)OCCOCCOC(=O)COCC.
What is the InChIKey of 2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate?
The InChIKey is OPNMJQALEBKREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O7/c1-3-15-9-11(13)18-7-5-17-6-8-19-12(14)10-16-4-2/h3-10H2,1-2H3.
What are the key properties of 2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate?
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate has a molecular weight of 278.30 g/mol, XLogP of 0.16, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate is sourced from PubChem (CID 121008376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).