EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


InChI Key	HMCSDPFPOSXLJY-UHFFFAOYSA-N
Smiles	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC
InChI	InChI=1S/C56H114O23/c1-2-3-4-5-6-7-8-9-10-11-13-58-15-17-60-19-21-62-23-25-64-27-29-66-31-33-68-35-37-70-39-41-72-43-45-74-47-49-76-51-53-78-55-56-79-54-52-77-50-48-75-46-44-73-42-40-71-38-36-69-34-32-67-30-28-65-26-24-63-22-20-61-18-16-59-14-12-57/h57H,2-56H2,1H3

InChI Key

HMCSDPFPOSXLJY-UHFFFAOYSA-N

Smiles

OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC

InChI

InChI=1S/C56H114O23/c1-2-3-4-5-6-7-8-9-10-11-13-58-15-17-60-19-21-62-23-25-64-27-29-66-31-33-68-35-37-70-39-41-72-43-45-74-47-49-76-51-53-78-55-56-79-54-52-77-50-48-75-46-44-73-42-40-71-38-36-69-34-32-67-30-28-65-26-24-63-22-20-61-18-16-59-14-12-57/h57H,2-56H2,1H3

Property Name	Value
Molecular Formula	C56H114O23
Molecular Weight	1154.78
AlogP	4.26
Hydrogen Bond Acceptor	23.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	76.0
Polar Surface Area	223.29
Heavy Atoms	79.0

Property Name

Value

Molecular Formula

C56H114O23

Molecular Weight

1154.78

AlogP

4.26

Hydrogen Bond Acceptor

23.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

76.0

Polar Surface Area

223.29

Heavy Atoms

79.0

Resources	Reference
NORMAN SUSDAT
PubChem	101988346

Resources

Reference

NORMAN SUSDAT

PubChem

101988346

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

C12 ALCOHOL, PREDOMINATELY LINEAR 22 EO

Structure

Physicochemical Descriptors

Cross References