EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID40240322

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID40240322


InChI Key	LSUBJKMXQOLTFL-UHFFFAOYSA-N
Smiles	CCCCCCCCC(OCCCCCCC)OCCCCCCC
InChI	InChI=1S/C23H48O2/c1-4-7-10-13-14-17-20-23(24-21-18-15-11-8-5-2)25-22-19-16-12-9-6-3/h23H,4-22H2,1-3H3

InChI Key

LSUBJKMXQOLTFL-UHFFFAOYSA-N

Smiles

CCCCCCCCC(OCCCCCCC)OCCCCCCC

InChI

InChI=1S/C23H48O2/c1-4-7-10-13-14-17-20-23(24-21-18-15-11-8-5-2)25-22-19-16-12-9-6-3/h23H,4-22H2,1-3H3

Property Name	Value
Molecular Formula	C23H48O2
Molecular Weight	356.37
AlogP	8.04
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	21.0
Polar Surface Area	18.46
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C23H48O2

Molecular Weight

356.37

AlogP

8.04

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

21.0

Polar Surface Area

18.46

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	94023-66-2
NORMAN SUSDAT
PubChem	3023344
ChemSpider	2289579.0

Resources

Reference

CAS NUMBER

94023-66-2

NORMAN SUSDAT

PubChem

3023344

ChemSpider

2289579.0

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

1,1-BIS(HEPTYLOXY)NONANE

Structure

Physicochemical Descriptors

Cross References