EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4P6Y293MGD
EPA CompTox	DTXSID40241031

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4P6Y293MGD

EPA CompTox

DTXSID40241031


InChI Key	ZDJAYWZPAYKSCT-UHFFFAOYSA-N
Smiles	CCOC(=O)COCCOC(=O)C
InChI	InChI=1S/C8H14O5/c1-3-12-8(10)6-11-4-5-13-7(2)9/h3-6H2,1-2H3

InChI Key

ZDJAYWZPAYKSCT-UHFFFAOYSA-N

Smiles

CCOC(=O)COCCOC(=O)C

InChI

InChI=1S/C8H14O5/c1-3-12-8(10)6-11-4-5-13-7(2)9/h3-6H2,1-2H3

Property Name	Value
Molecular Formula	C8H14O5
Molecular Weight	190.08
AlogP	0.13
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	6.0
Polar Surface Area	61.83
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C8H14O5

Molecular Weight

190.08

AlogP

0.13

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

6.0

Polar Surface Area

61.83

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	94201-94-2
NORMAN SUSDAT
FDA SRS	4P6Y293MGD
PubChem	44151646
ChemSpider	2290042.0

Resources

Reference

CAS NUMBER

94201-94-2

NORMAN SUSDAT

FDA SRS

4P6Y293MGD

PubChem

44151646

ChemSpider

2290042.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ETHYL ACETOXYETHOXYACETATE

Structure

Physicochemical Descriptors

Cross References