EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID60887016

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID60887016


InChI Key	CTVTVTUUJWVDSV-UHFFFAOYSA-N
Smiles	O=C(OCCOCCOCCOCCOCCOCC1OCCC1)C=C
InChI	InChI=1/C18H32O8/c1-2-18(19)26-15-14-23-11-10-21-7-6-20-8-9-22-12-13-24-16-17-4-3-5-25-17/h2,17H,1,3-16H2

InChI Key

CTVTVTUUJWVDSV-UHFFFAOYSA-N

Smiles

O=C(OCCOCCOCCOCCOCCOCC1OCCC1)C=C

InChI

InChI=1/C18H32O8/c1-2-18(19)26-15-14-23-11-10-21-7-6-20-8-9-22-12-13-24-16-17-4-3-5-25-17/h2,17H,1,3-16H2

Property Name	Value
Molecular Formula	C18H32O8
Molecular Weight	376.21
AlogP	0.98
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	18.0
Polar Surface Area	81.68
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C18H32O8

Molecular Weight

376.21

AlogP

0.98

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

18.0

Polar Surface Area

81.68

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	67892-99-3
NORMAN SUSDAT
PubChem	105994

Resources

Reference

CAS NUMBER

67892-99-3

NORMAN SUSDAT

PubChem

105994

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

16-(TETRAHYDRO-2-FURYL)-3,6,9,12,15-PENTAOXAHEXADECYL ACRYLATE

Structure

Physicochemical Descriptors

Cross References