EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID10335739

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID10335739


InChI Key	IARJEKFKATUDNM-UHFFFAOYSA-N
Smiles	CCCCCCCCCOCCOCCOCCO
InChI	InChI=1S/C15H32O4/c1-2-3-4-5-6-7-8-10-17-12-14-19-15-13-18-11-9-16/h16H,2-15H2,1H3

InChI Key

IARJEKFKATUDNM-UHFFFAOYSA-N

Smiles

CCCCCCCCCOCCOCCOCCO

InChI

InChI=1S/C15H32O4/c1-2-3-4-5-6-7-8-10-17-12-14-19-15-13-18-11-9-16/h16H,2-15H2,1H3

Property Name	Value
Molecular Formula	C15H32O4
Molecular Weight	276.23
AlogP	2.78
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	47.92
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H32O4

Molecular Weight

276.23

AlogP

2.78

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

47.92

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	55489-51-5
NORMAN SUSDAT
PubChem	526727
ChemSpider	459145.0

Resources

Reference

CAS NUMBER

55489-51-5

NORMAN SUSDAT

PubChem

526727

ChemSpider

459145.0

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

C9 ALCOHOL, PREDOMINATELY LINEAR, 3 EO

Structure

Physicochemical Descriptors

Cross References