EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form

Keyword(s):

Surfactants

Molecule Category

Free-form


InChI Key	HNUQMTZUNUBOLQ-UHFFFAOYSA-N
Smiles	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C38H78O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-40-21-23-42-25-27-44-29-31-46-33-35-48-37-38-49-36-34-47-32-30-45-28-26-43-24-22-41-20-18-39/h39H,2-38H2,1H3

InChI Key

HNUQMTZUNUBOLQ-UHFFFAOYSA-N

Smiles

OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C38H78O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-40-21-23-42-25-27-44-29-31-46-33-35-48-37-38-49-36-34-47-32-30-45-28-26-43-24-22-41-20-18-39/h39H,2-38H2,1H3

Property Name	Value
Molecular Formula	C38H78O11
Molecular Weight	710.55
AlogP	6.41
Hydrogen Bond Acceptor	11.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	46.0
Polar Surface Area	112.53
Heavy Atoms	49.0

Property Name

Value

Molecular Formula

C38H78O11

Molecular Weight

710.55

AlogP

6.41

Hydrogen Bond Acceptor

11.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

46.0

Polar Surface Area

112.53

Heavy Atoms

49.0

Resources	Reference
CAS NUMBER	13149-86-5
NORMAN SUSDAT
PubChem	11707463
ChemSpider	9882186.0

Resources

Reference

CAS NUMBER

13149-86-5

NORMAN SUSDAT

PubChem

11707463

ChemSpider

9882186.0

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

C18 ALCOHOL, PREDOMINATELY LINEAR, 10 EO

Structure

Physicochemical Descriptors

Cross References