EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID9070325

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID9070325


InChI Key	POSOSGFICGBKPO-UHFFFAOYSA-N
Smiles	CCCCOCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCOCCCC
InChI	InChI=1S/C24H46O10/c1-3-5-9-27-11-13-29-15-17-31-19-21-33-23(25)7-8-24(26)34-22-20-32-18-16-30-14-12-28-10-6-4-2/h3-22H2,1-2H3

InChI Key

POSOSGFICGBKPO-UHFFFAOYSA-N

Smiles

CCCCOCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCOCCCC

InChI

InChI=1S/C24H46O10/c1-3-5-9-27-11-13-29-15-17-31-19-21-33-23(25)7-8-24(26)34-22-20-32-18-16-30-14-12-28-10-6-4-2/h3-22H2,1-2H3

Property Name	Value
Molecular Formula	C24H46O10
Molecular Weight	494.31
AlogP	2.55
Hydrogen Bond Acceptor	10.0
Number of Rotational Bond	27.0
Polar Surface Area	107.98
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C24H46O10

Molecular Weight

494.31

AlogP

2.55

Hydrogen Bond Acceptor

10.0

Number of Rotational Bond

27.0

Polar Surface Area

107.98

Heavy Atoms

34.0

Resources	Reference
CAS NUMBER	65520-45-8
NORMAN SUSDAT
PubChem	103408
ChemSpider	93365.0

Resources

Reference

CAS NUMBER

65520-45-8

NORMAN SUSDAT

PubChem

103408

ChemSpider

93365.0

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

BUTANEDIOIC ACID, BIS[2-[2-(2-BUTOXYETHOXY)ETHOXY]ETHYL] ESTER

Structure

Physicochemical Descriptors

Cross References