EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


InChI Key	VUPTYMMTPRXDSX-UHFFFAOYSA-N
Smiles	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C44H90O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-46-21-23-48-25-27-50-29-31-52-33-35-54-37-39-56-41-43-58-44-42-57-40-38-55-36-34-53-32-30-51-28-26-49-24-22-47-20-18-45/h45H,2-44H2,1H3

InChI Key

VUPTYMMTPRXDSX-UHFFFAOYSA-N

Smiles

OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H90O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-46-21-23-48-25-27-50-29-31-52-33-35-54-37-39-56-41-43-58-44-42-57-40-38-55-36-34-53-32-30-51-28-26-49-24-22-47-20-18-45/h45H,2-44H2,1H3

Property Name	Value
Molecular Formula	C44H90O14
Molecular Weight	842.63
AlogP	6.46
Hydrogen Bond Acceptor	14.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	55.0
Polar Surface Area	140.22
Heavy Atoms	58.0

Property Name

Value

Molecular Formula

C44H90O14

Molecular Weight

842.63

AlogP

6.46

Hydrogen Bond Acceptor

14.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

55.0

Polar Surface Area

140.22

Heavy Atoms

58.0

Resources	Reference
NORMAN SUSDAT
PubChem	122424950

Resources

Reference

NORMAN SUSDAT

PubChem

122424950

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 ALCOHOL, PREDOMINATELY LINEAR, 13 EO

Structure

Physicochemical Descriptors

Cross References