EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WAP62ZF4K5
EPA CompTox	DTXSID90884492

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WAP62ZF4K5

EPA CompTox

DTXSID90884492


InChI Key	FOKLVOHHYNATHU-UHFFFAOYSA-N
Smiles	O=C(OCC1OCCCC1)C(=C)C
InChI	InChI=1/C10H16O3/c1-8(2)10(11)13-7-9-5-3-4-6-12-9/h9H,1,3-7H2,2H3

InChI Key

FOKLVOHHYNATHU-UHFFFAOYSA-N

Smiles

O=C(OCC1OCCCC1)C(=C)C

InChI

InChI=1/C10H16O3/c1-8(2)10(11)13-7-9-5-3-4-6-12-9/h9H,1,3-7H2,2H3

Property Name	Value
Molecular Formula	C10H16O3
Molecular Weight	184.11
AlogP	1.67
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	35.53
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H16O3

Molecular Weight

184.11

AlogP

1.67

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

35.53

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	10535-52-1
NORMAN SUSDAT
FDA SRS	WAP62ZF4K5
PubChem	112068

Resources

Reference

CAS NUMBER

10535-52-1

NORMAN SUSDAT

FDA SRS

WAP62ZF4K5

PubChem

112068

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

(TETRAHYDROPYRAN-2-YL)METHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References