EcoDrugPlus


Keyword(s):	Indoor Environment Substances ; Surfactants
Molecule Category	Free-form

Keyword(s):

Indoor Environment Substances ; Surfactants

Molecule Category

Free-form


InChI Key	BWJWODXTTAHSKO-UHFFFAOYSA-N
Smiles	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC
InChI	InChI=1S/C40H82O15/c1-2-3-4-5-6-7-8-9-10-11-13-42-15-17-44-19-21-46-23-25-48-27-29-50-31-33-52-35-37-54-39-40-55-38-36-53-34-32-51-30-28-49-26-24-47-22-20-45-18-16-43-14-12-41/h41H,2-40H2,1H3

InChI Key

BWJWODXTTAHSKO-UHFFFAOYSA-N

Smiles

OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC

InChI

InChI=1S/C40H82O15/c1-2-3-4-5-6-7-8-9-10-11-13-42-15-17-44-19-21-46-23-25-48-27-29-50-31-33-52-35-37-54-39-40-55-38-36-53-34-32-51-30-28-49-26-24-47-22-20-45-18-16-43-14-12-41/h41H,2-40H2,1H3

Property Name	Value
Molecular Formula	C40H82O15
Molecular Weight	802.57
AlogP	4.13
Hydrogen Bond Acceptor	15.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	52.0
Polar Surface Area	149.45
Heavy Atoms	55.0

Property Name

Value

Molecular Formula

C40H82O15

Molecular Weight

802.57

AlogP

4.13

Hydrogen Bond Acceptor

15.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

52.0

Polar Surface Area

149.45

Heavy Atoms

55.0

Resources	Reference
NORMAN SUSDAT
PubChem	14973983

Resources

Reference

NORMAN SUSDAT

PubChem

14973983

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

C12 ALCOHOL, PREDOMINATELY LINEAR 14 EO

Structure

Physicochemical Descriptors

Cross References