EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6WTA2LE3X6
EPA CompTox	DTXSID50241244

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6WTA2LE3X6

EPA CompTox

DTXSID50241244


InChI Key	XWQPYRZLNKQZFP-UHFFFAOYSA-N
Smiles	CC(C)CCCCCCCCCCOC(=O)C(C)=C
InChI	InChI=1S/C17H32O2/c1-15(2)13-11-9-7-5-6-8-10-12-14-19-17(18)16(3)4/h15H,3,5-14H2,1-2,4H3

InChI Key

XWQPYRZLNKQZFP-UHFFFAOYSA-N

Smiles

CC(C)CCCCCCCCCCOC(=O)C(C)=C

InChI

InChI=1S/C17H32O2/c1-15(2)13-11-9-7-5-6-8-10-12-14-19-17(18)16(3)4/h15H,3,5-14H2,1-2,4H3

Property Name	Value
Molecular Formula	C17H32O2
Molecular Weight	268.24
AlogP	5.27
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	12.0
Polar Surface Area	26.3
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C17H32O2

Molecular Weight

268.24

AlogP

5.27

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

12.0

Polar Surface Area

26.3

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	94247-05-9
NORMAN SUSDAT
FDA SRS	6WTA2LE3X6
PubChem	3086394
ChemSpider	2343027.0

Resources

Reference

CAS NUMBER

94247-05-9

NORMAN SUSDAT

FDA SRS

6WTA2LE3X6

PubChem

3086394

ChemSpider

2343027.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ISOTRIDECYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References