EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID90778261

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID90778261


InChI Key	WLENSIKFJNRCRT-UHFFFAOYSA-N
Smiles	O=C(O)COCCOCCOCCOCCCCCCCCCCC
InChI	InChI=1S/C19H38O6/c1-2-3-4-5-6-7-8-9-10-11-22-12-13-23-14-15-24-16-17-25-18-19(20)21/h2-18H2,1H3,(H,20,21)

InChI Key

WLENSIKFJNRCRT-UHFFFAOYSA-N

Smiles

O=C(O)COCCOCCOCCOCCCCCCCCCCC

InChI

InChI=1S/C19H38O6/c1-2-3-4-5-6-7-8-9-10-11-22-12-13-23-14-15-24-16-17-25-18-19(20)21/h2-18H2,1H3,(H,20,21)

Property Name	Value
Molecular Formula	C19H38O6
Molecular Weight	362.27
AlogP	3.67
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	21.0
Polar Surface Area	74.22
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C19H38O6

Molecular Weight

362.27

AlogP

3.67

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

21.0

Polar Surface Area

74.22

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	173536-73-7
NORMAN SUSDAT
PubChem	71353529
ChemSpider	28592214.0

Resources

Reference

CAS NUMBER

173536-73-7

NORMAN SUSDAT

PubChem

71353529

ChemSpider

28592214.0

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

C11, 4 EO CARBOXYMETHYLATED ACID

Structure

Physicochemical Descriptors

Cross References