EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID90207985

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID90207985


InChI Key	IJUOZEBZJUUBNX-UHFFFAOYSA-N
Smiles	C=CC(=O)OCCOCCOCCOCCOCCOC(=O)C=C
InChI	InChI=1S/C16H26O8/c1-3-15(17)23-13-11-21-9-7-19-5-6-20-8-10-22-12-14-24-16(18)4-2/h3-4H,1-2,5-14H2

InChI Key

IJUOZEBZJUUBNX-UHFFFAOYSA-N

Smiles

C=CC(=O)OCCOCCOCCOCCOCCOC(=O)C=C

InChI

InChI=1S/C16H26O8/c1-3-15(17)23-13-11-21-9-7-19-5-6-20-8-10-22-12-14-24-16(18)4-2/h3-4H,1-2,5-14H2

Property Name	Value
Molecular Formula	C16H26O8
Molecular Weight	346.16
AlogP	0.51
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	17.0
Polar Surface Area	89.52
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C16H26O8

Molecular Weight

346.16

AlogP

0.51

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

17.0

Polar Surface Area

89.52

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	59256-52-9
NORMAN SUSDAT
PubChem	100995
ChemSpider	4646.0

Resources

Reference

CAS NUMBER

59256-52-9

NORMAN SUSDAT

PubChem

100995

ChemSpider

4646.0

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

3,6,9,12-TETRAOXATETRADECANE-1,14-DIYL DIACRYLATE

Structure

Physicochemical Descriptors

Cross References