EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	J0Z7U61JZ8
EPA CompTox	DTXSID30159313

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

J0Z7U61JZ8

EPA CompTox

DTXSID30159313


InChI Key	DJKKWVGWYCKUFC-UHFFFAOYSA-N
Smiles	CCCCOCCOC(=O)C(=C)C
InChI	InChI=1S/C10H18O3/c1-4-5-6-12-7-8-13-10(11)9(2)3/h2,4-8H2,1,3H3

InChI Key

DJKKWVGWYCKUFC-UHFFFAOYSA-N

Smiles

CCCCOCCOC(=O)C(=C)C

InChI

InChI=1S/C10H18O3/c1-4-5-6-12-7-8-13-10(11)9(2)3/h2,4-8H2,1,3H3

Property Name	Value
Molecular Formula	C10H18O3
Molecular Weight	186.13
AlogP	1.92
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	35.53
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H18O3

Molecular Weight

186.13

AlogP

1.92

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

35.53

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	13532-94-0
NORMAN SUSDAT
FDA SRS	J0Z7U61JZ8
PubChem	83555
ChemSpider	75387.0

Resources

Reference

CAS NUMBER

13532-94-0

NORMAN SUSDAT

FDA SRS

J0Z7U61JZ8

PubChem

83555

ChemSpider

75387.0

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-BUTOXYETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References