EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID30770300

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID30770300


InChI Key	IWTTWPTXRWUSBK-UHFFFAOYSA-N
Smiles	O=C(O)COCCOCCOCCOCCCCCCCCCCCCCC
InChI	InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-15-16-26-17-18-27-19-20-28-21-22(23)24/h2-21H2,1H3,(H,23,24)

InChI Key

IWTTWPTXRWUSBK-UHFFFAOYSA-N

Smiles

O=C(O)COCCOCCOCCOCCCCCCCCCCCCCC

InChI

InChI=1S/C22H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-15-16-26-17-18-27-19-20-28-21-22(23)24/h2-21H2,1H3,(H,23,24)

Property Name	Value
Molecular Formula	C22H44O6
Molecular Weight	404.31
AlogP	4.84
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	24.0
Polar Surface Area	74.22
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C22H44O6

Molecular Weight

404.31

AlogP

4.84

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

24.0

Polar Surface Area

74.22

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	141454-85-5
NORMAN SUSDAT
PubChem	71343749
ChemSpider	28685497.0

Resources

Reference

CAS NUMBER

141454-85-5

NORMAN SUSDAT

PubChem

71343749

ChemSpider

28685497.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

C14, 4 EO CARBOXYMETHYLATED ACID

Structure

Physicochemical Descriptors

Cross References