EcoDrugPlus


Keyword(s):	Indoor Environment Substances ; Surfactants
Molecule Category	Free-form
UNII	85FR004F9B

Keyword(s):

Indoor Environment Substances ; Surfactants

Molecule Category

Free-form

UNII

85FR004F9B


InChI Key	MJELOWOAIAAUJT-UHFFFAOYSA-N
Smiles	CCCCCCCCOCCOCCOCCOCCOCCO
InChI	InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3

InChI Key

MJELOWOAIAAUJT-UHFFFAOYSA-N

Smiles

CCCCCCCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3

Property Name	Value
Molecular Formula	C18H38O6
Molecular Weight	350.27
AlogP	2.42
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	21.0
Polar Surface Area	66.38
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H38O6

Molecular Weight

350.27

AlogP

2.42

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

21.0

Polar Surface Area

66.38

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	27252-75-1
NORMAN SUSDAT
FDA SRS	85FR004F9B
PubChem	159866

Resources

Reference

CAS NUMBER

27252-75-1

NORMAN SUSDAT

FDA SRS

85FR004F9B

PubChem

159866

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

3,6,9,12,15-PENTAOXATRICOSAN-1-OL

Structure

Physicochemical Descriptors

Cross References