EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EWG0V0F5TY
EPA CompTox	DTXSID7063716

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EWG0V0F5TY

EPA CompTox

DTXSID7063716


InChI Key	CHNGPLVDGWOPMD-UHFFFAOYSA-N
Smiles	CCC(CC)COC(=O)C(=C)C
InChI	InChI=1S/C10H18O2/c1-5-9(6-2)7-12-10(11)8(3)4/h9H,3,5-7H2,1-2,4H3

InChI Key

CHNGPLVDGWOPMD-UHFFFAOYSA-N

Smiles

CCC(CC)COC(=O)C(=C)C

InChI

InChI=1S/C10H18O2/c1-5-9(6-2)7-12-10(11)8(3)4/h9H,3,5-7H2,1-2,4H3

Property Name	Value
Molecular Formula	C10H18O2
Molecular Weight	170.13
AlogP	2.54
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	26.3
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H18O2

Molecular Weight

170.13

AlogP

2.54

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

26.3

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	5138-86-3
NORMAN SUSDAT
FDA SRS	EWG0V0F5TY
PubChem	78817
ChemSpider	71153.0

Resources

Reference

CAS NUMBER

5138-86-3

NORMAN SUSDAT

FDA SRS

EWG0V0F5TY

PubChem

78817

ChemSpider

71153.0

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-ETHYLBUTYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References