EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID90910341

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID90910341


InChI Key	PGDIJTMOHORACQ-UHFFFAOYSA-N
Smiles	C=CC(=O)OCCCCCCCCCOC(=O)C=C
InChI	InChI=1S/C15H24O4/c1-3-14(16)18-12-10-8-6-5-7-9-11-13-19-15(17)4-2/h3-4H,1-2,5-13H2

InChI Key

PGDIJTMOHORACQ-UHFFFAOYSA-N

Smiles

C=CC(=O)OCCCCCCCCCOC(=O)C=C

InChI

InChI=1S/C15H24O4/c1-3-14(16)18-12-10-8-6-5-7-9-11-13-19-15(17)4-2/h3-4H,1-2,5-13H2

Property Name	Value
Molecular Formula	C15H24O4
Molecular Weight	268.17
AlogP	3.18
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	12.0
Polar Surface Area	52.6
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H24O4

Molecular Weight

268.17

AlogP

3.18

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

12.0

Polar Surface Area

52.6

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	107481-28-7
NORMAN SUSDAT
PubChem	9795378

Resources

Reference

CAS NUMBER

107481-28-7

NORMAN SUSDAT

PubChem

9795378

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

NON-1,9-DIYL DIACRYLATE

Structure

Physicochemical Descriptors

Cross References