EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID90833127

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID90833127


InChI Key	NRQGQYQDHVOAGU-UHFFFAOYSA-N
Smiles	COCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCOC
InChI	InChI=1S/C18H34O10/c1-21-5-7-23-9-11-25-13-15-27-17(19)3-4-18(20)28-16-14-26-12-10-24-8-6-22-2/h3-16H2,1-2H3

InChI Key

NRQGQYQDHVOAGU-UHFFFAOYSA-N

Smiles

COCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCOC

InChI

InChI=1S/C18H34O10/c1-21-5-7-23-9-11-25-13-15-27-17(19)3-4-18(20)28-16-14-26-12-10-24-8-6-22-2/h3-16H2,1-2H3

Property Name	Value
Molecular Formula	C18H34O10
Molecular Weight	410.22
AlogP	0.21
Hydrogen Bond Acceptor	10.0
Number of Rotational Bond	21.0
Polar Surface Area	107.98
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C18H34O10

Molecular Weight

410.22

AlogP

0.21

Hydrogen Bond Acceptor

10.0

Number of Rotational Bond

21.0

Polar Surface Area

107.98

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	869483-81-8
NORMAN SUSDAT
PubChem	71413614

Resources

Reference

CAS NUMBER

869483-81-8

NORMAN SUSDAT

PubChem

71413614

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...

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Last update: Monday, 3 November 2025

BIS{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHYL} SUCCINATE

Structure

Physicochemical Descriptors

Cross References