ethyl 2,2,2-triethoxyacetate

C10H20O5 — CID 5090273

IUPACethyl 2,2,2-triethoxyacetate
SMILESCCOC(=O)C(OCC)(OCC)OCC
InChIInChI=1S/C10H20O5/c1-5-12-9(11)10(13-6-2,14-7-3)15-8-4/h5-8H2,1-4H3
InChIKeyJWQIAVCJLYNXLJ-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.31
Rot. Bonds8

About ethyl 2,2,2-triethoxyacetate

ethyl 2,2,2-triethoxyacetate (PubChem CID 5090273) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is ethyl 2,2,2-triethoxyacetate.

Molecular Properties

Compound Nameethyl 2,2,2-triethoxyacetate
PubChem CID5090273
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Nameethyl 2,2,2-triethoxyacetate
SMILESCCOC(=O)C(OCC)(OCC)OCC
InChIInChI=1S/C10H20O5/c1-5-12-9(11)10(13-6-2,14-7-3)15-8-4/h5-8H2,1-4H3
InChIKeyJWQIAVCJLYNXLJ-UHFFFAOYSA-N
XLogP1.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2,2-triethoxyacetate?
The IUPAC name of ethyl 2,2,2-triethoxyacetate (CID 5090273) is ethyl 2,2,2-triethoxyacetate.
What is the SMILES notation for ethyl 2,2,2-triethoxyacetate?
The canonical SMILES for ethyl 2,2,2-triethoxyacetate is CCOC(=O)C(OCC)(OCC)OCC.
What is the InChIKey of ethyl 2,2,2-triethoxyacetate?
The InChIKey is JWQIAVCJLYNXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-5-12-9(11)10(13-6-2,14-7-3)15-8-4/h5-8H2,1-4H3.
What are the key properties of ethyl 2,2,2-triethoxyacetate?
ethyl 2,2,2-triethoxyacetate has a molecular weight of 220.26 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2,2-triethoxyacetate is sourced from PubChem (CID 5090273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).