EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


InChI Key	VXWLNXGYIWKCDK-UHFFFAOYSA-N
Smiles	O=C(O)COCCOCCOCCOCCCCCCCCCCCC
InChI	InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-14-24-15-16-25-17-18-26-19-20(21)22/h2-19H2,1H3,(H,21,22)

InChI Key

VXWLNXGYIWKCDK-UHFFFAOYSA-N

Smiles

O=C(O)COCCOCCOCCOCCCCCCCCCCCC

InChI

InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-14-24-15-16-25-17-18-26-19-20(21)22/h2-19H2,1H3,(H,21,22)

Property Name	Value
Molecular Formula	C20H40O6
Molecular Weight	376.28
AlogP	4.06
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	22.0
Polar Surface Area	74.22
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C20H40O6

Molecular Weight

376.28

AlogP

4.06

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

22.0

Polar Surface Area

74.22

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	20858-25-7
NORMAN SUSDAT
PubChem	12463601
ChemSpider	26538191.0

Resources

Reference

CAS NUMBER

20858-25-7

NORMAN SUSDAT

PubChem

12463601

ChemSpider

26538191.0

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...

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Last update: Monday, 3 November 2025

C12, 4 EO CARBOXYMETHYLATED ACID

Structure

Physicochemical Descriptors

Cross References