EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


InChI Key	PYOQKNDWYLTXRD-UHFFFAOYSA-N
Smiles	O=C(O)COCCOCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24/h2-21H2,1H3,(H,23,24)

InChI Key

PYOQKNDWYLTXRD-UHFFFAOYSA-N

Smiles

O=C(O)COCCOCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-19-20-26-21-22(23)24/h2-21H2,1H3,(H,23,24)

Property Name	Value
Molecular Formula	C22H44O4
Molecular Weight	372.32
AlogP	6.37
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	22.0
Polar Surface Area	55.76
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C22H44O4

Molecular Weight

372.32

AlogP

6.37

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

22.0

Polar Surface Area

55.76

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	31800-53-0
NORMAN SUSDAT
PubChem	170122
ChemSpider	148759.0

Resources

Reference

CAS NUMBER

31800-53-0

NORMAN SUSDAT

PubChem

170122

ChemSpider

148759.0

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

C18, 2 EO CARBOXYMETHYLATED ACID

Structure

Physicochemical Descriptors

Cross References