EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID90784706

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID90784706


InChI Key	IZOWNRUGDRFOQM-UHFFFAOYSA-N
Smiles	OCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C27H56O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-29-20-22-31-24-26-33-27-25-32-23-21-30-19-17-28/h28H,2-27H2,1H3

InChI Key

IZOWNRUGDRFOQM-UHFFFAOYSA-N

Smiles

OCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C27H56O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-29-20-22-31-24-26-33-27-25-32-23-21-30-19-17-28/h28H,2-27H2,1H3

Property Name	Value
Molecular Formula	C27H56O6
Molecular Weight	476.41
AlogP	5.93
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	30.0
Polar Surface Area	66.38
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C27H56O6

Molecular Weight

476.41

AlogP

5.93

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

30.0

Polar Surface Area

66.38

Heavy Atoms

33.0

Resources	Reference
CAS NUMBER	35056-96-3
NORMAN SUSDAT
PubChem	71360945
ChemSpider	57509516.0

Resources

Reference

CAS NUMBER

35056-96-3

NORMAN SUSDAT

PubChem

71360945

ChemSpider

57509516.0

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

C17 ALCOHOL, PREDOMINATELY LINEAR, 5 EO

Structure

Physicochemical Descriptors

Cross References