EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0548T81DSO
EPA CompTox	DTXSID8068464

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0548T81DSO

EPA CompTox

DTXSID8068464


InChI Key	DAVVKEZTUOGEAK-UHFFFAOYSA-N
Smiles	COCCOCCOC(=O)C(=C)C
InChI	InChI=1S/C9H16O4/c1-8(2)9(10)13-7-6-12-5-4-11-3/h1,4-7H2,2-3H3

InChI Key

DAVVKEZTUOGEAK-UHFFFAOYSA-N

Smiles

COCCOCCOC(=O)C(=C)C

InChI

InChI=1S/C9H16O4/c1-8(2)9(10)13-7-6-12-5-4-11-3/h1,4-7H2,2-3H3

Property Name	Value
Molecular Formula	C9H16O4
Molecular Weight	188.1
AlogP	0.77
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	7.0
Polar Surface Area	44.76
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H16O4

Molecular Weight

188.1

AlogP

0.77

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

7.0

Polar Surface Area

44.76

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	45103-58-0
NORMAN SUSDAT
FDA SRS	0548T81DSO
PubChem	170752
ChemSpider	149284.0

Resources

Reference

CAS NUMBER

45103-58-0

NORMAN SUSDAT

FDA SRS

0548T81DSO

PubChem

170752

ChemSpider

149284.0

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...

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Last update: Monday, 3 November 2025

2-(2-METHOXYETHOXY)ETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References