EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID80761743

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID80761743


InChI Key	BQMHQTFLOAKCIW-UHFFFAOYSA-N
Smiles	O=C(O)COCCOCCOCCOCCOCCOCCCCCCCCCCCCCC
InChI	InChI=1S/C26H52O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-29-15-16-30-17-18-31-19-20-32-21-22-33-23-24-34-25-26(27)28/h2-25H2,1H3,(H,27,28)

InChI Key

BQMHQTFLOAKCIW-UHFFFAOYSA-N

Smiles

O=C(O)COCCOCCOCCOCCOCCOCCCCCCCCCCCCCC

InChI

InChI=1S/C26H52O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-29-15-16-30-17-18-31-19-20-32-21-22-33-23-24-34-25-26(27)28/h2-25H2,1H3,(H,27,28)

Property Name	Value
Molecular Formula	C26H52O8
Molecular Weight	492.37
AlogP	4.87
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	30.0
Polar Surface Area	92.68
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C26H52O8

Molecular Weight

492.37

AlogP

4.87

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

30.0

Polar Surface Area

92.68

Heavy Atoms

34.0

Resources	Reference
CAS NUMBER	105365-64-8
NORMAN SUSDAT
PubChem	71333493
ChemSpider	28717597.0

Resources

Reference

CAS NUMBER

105365-64-8

NORMAN SUSDAT

PubChem

71333493

ChemSpider

28717597.0

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, 6 EO CARBOXYMETHYLATED ACID

Structure

Physicochemical Descriptors

Cross References