EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


InChI Key	ILCOCZBHMDEIAI-UHFFFAOYSA-N
Smiles	OCCOCCOCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C22H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h23H,2-22H2,1H3

InChI Key

ILCOCZBHMDEIAI-UHFFFAOYSA-N

Smiles

OCCOCCOCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C22H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h23H,2-22H2,1H3

Property Name	Value
Molecular Formula	C22H46O3
Molecular Weight	358.34
AlogP	6.27
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	22.0
Polar Surface Area	38.69
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C22H46O3

Molecular Weight

358.34

AlogP

6.27

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

22.0

Polar Surface Area

38.69

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	16057-43-5
NORMAN SUSDAT
PubChem	4165923
ChemSpider	3377544.0

Resources

Reference

CAS NUMBER

16057-43-5

NORMAN SUSDAT

PubChem

4165923

ChemSpider

3377544.0

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

C18 ALCOHOL, PREDOMINATELY LINEAR, 2 EO

Structure

Physicochemical Descriptors

Cross References