EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50233689

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50233689


InChI Key	OUNJLSKZDGVRNU-UHFFFAOYSA-N
Smiles	CC(C)OCCOCCOCCOCCOC(C)C
InChI	InChI=1S/C14H30O5/c1-13(2)18-11-9-16-7-5-15-6-8-17-10-12-19-14(3)4/h13-14H,5-12H2,1-4H3

InChI Key

OUNJLSKZDGVRNU-UHFFFAOYSA-N

Smiles

CC(C)OCCOCCOCCOCCOC(C)C

InChI

InChI=1S/C14H30O5/c1-13(2)18-11-9-16-7-5-15-6-8-17-10-12-19-14(3)4/h13-14H,5-12H2,1-4H3

Property Name	Value
Molecular Formula	C14H30O5
Molecular Weight	278.21
AlogP	1.89
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	14.0
Polar Surface Area	46.15
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H30O5

Molecular Weight

278.21

AlogP

1.89

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

14.0

Polar Surface Area

46.15

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	84696-63-9
NORMAN SUSDAT
PubChem	14876025
ChemSpider	21164297.0

Resources

Reference

CAS NUMBER

84696-63-9

NORMAN SUSDAT

PubChem

14876025

ChemSpider

21164297.0

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

2,16-DIMETHYL-3,6,9,12,15-PENTAOXAHEPTADECANE

Structure

Physicochemical Descriptors

Cross References