ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate

C13H26O6 — CID 158132975

IUPACethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
SMILESCCOCC(=O)OCC.CCOCCC(=O)OCC
InChIInChI=1S/C7H14O3.C6H12O3/c1-3-9-6-5-7(8)10-4-2;1-3-8-5-6(7)9-4-2/h3-6H2,1-2H3;3-5H2,1-2H3
InChIKeyFSZVELBHACNAEY-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.56
Rot. Bonds9

About ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate

ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate (PubChem CID 158132975) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate.

Molecular Properties

Compound Nameethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
PubChem CID158132975
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Nameethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
SMILESCCOCC(=O)OCC.CCOCCC(=O)OCC
InChIInChI=1S/C7H14O3.C6H12O3/c1-3-9-6-5-7(8)10-4-2;1-3-8-5-6(7)9-4-2/h3-6H2,1-2H3;3-5H2,1-2H3
InChIKeyFSZVELBHACNAEY-UHFFFAOYSA-N
XLogP1.56
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
benzene;ethyl 2-ethoxyacetate
CID 174867683
formyloxymethyl 3-(2-ethoxy-2-oxoethoxy)propanoate
CID 118371136
ethyl 3-(2-hydroxyethoxy)propanoate
CID 22394031
ethyl 3-ethoxypropanoate;heptan-2-one
CID 87786809
2-[2-(2-ethoxyacetyl)oxyethoxy]ethyl 2-ethoxyacetate
CID 121008376
ethyl 2-ethoxyacetate;methyl 3-hydroxypropanoate
CID 174878404
diethyl pentanedioate;2-ethoxyethanol
CID 174867931
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
ethyl 2-butoxyacetate
CID 14419651
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate?
The IUPAC name of ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate (CID 158132975) is ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate.
What is the SMILES notation for ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate?
The canonical SMILES for ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate is CCOCC(=O)OCC.CCOCCC(=O)OCC.
What is the InChIKey of ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate?
The InChIKey is FSZVELBHACNAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C6H12O3/c1-3-9-6-5-7(8)10-4-2;1-3-8-5-6(7)9-4-2/h3-6H2,1-2H3;3-5H2,1-2H3.
What are the key properties of ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate?
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate has a molecular weight of 278.34 g/mol, XLogP of 1.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate is sourced from PubChem (CID 158132975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).