EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
EPA CompTox	DTXSID00858841

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

EPA CompTox

DTXSID00858841


InChI Key	MTPIZGPBYCHTGQ-UHFFFAOYSA-N
Smiles	CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C
InChI	InChI=1S/C21H32O9/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3/h5-7H,1-3,8-17H2,4H3

InChI Key

MTPIZGPBYCHTGQ-UHFFFAOYSA-N

Smiles

CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C

InChI

InChI=1S/C21H32O9/c1-5-18(22)28-12-9-25-15-21(8-4,16-26-10-13-29-19(23)6-2)17-27-11-14-30-20(24)7-3/h5-7H,1-3,8-17H2,4H3

Property Name	Value
Molecular Formula	C21H32O9
Molecular Weight	428.2
AlogP	1.62
Hydrogen Bond Acceptor	9.0
Number of Rotational Bond	19.0
Polar Surface Area	106.59
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C21H32O9

Molecular Weight

428.2

AlogP

1.62

Hydrogen Bond Acceptor

9.0

Number of Rotational Bond

19.0

Polar Surface Area

106.59

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	75577-70-7
NORMAN SUSDAT
PubChem	115157
ChemSpider	103041.0

Resources

Reference

CAS NUMBER

75577-70-7

NORMAN SUSDAT

PubChem

115157

ChemSpider

103041.0

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, 23^rd March 2026

(2-ETHYL-2-((2-((1-OXOALLYL)OXY)ETHOXY)METHYL)-1,3-PROPANEDIYL)BIS(OXY-2,1-ETHANEDIYL) DIACRYLATE

Structure

Physicochemical Descriptors

Cross References