EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C58H6JXO5L
EPA CompTox	DTXSID40884285

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C58H6JXO5L

EPA CompTox

DTXSID40884285


InChI Key	JPFPDGRVRGETED-UHFFFAOYSA-N
Smiles	O=C(OCC1OC(OC1)(C)C)C(=C)C
InChI	InChI=1/C10H16O4/c1-7(2)9(11)12-5-8-6-13-10(3,4)14-8/h8H,1,5-6H2,2-4H3

InChI Key

JPFPDGRVRGETED-UHFFFAOYSA-N

Smiles

O=C(OCC1OC(OC1)(C)C)C(=C)C

InChI

InChI=1/C10H16O4/c1-7(2)9(11)12-5-8-6-13-10(3,4)14-8/h8H,1,5-6H2,2-4H3

Property Name	Value
Molecular Formula	C10H16O4
Molecular Weight	200.1
AlogP	1.26
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	44.76
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H16O4

Molecular Weight

200.1

AlogP

1.26

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

3.0

Polar Surface Area

44.76

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	7098-80-8
NORMAN SUSDAT
FDA SRS	C58H6JXO5L
PubChem	110950

Resources

Reference

CAS NUMBER

7098-80-8

NORMAN SUSDAT

FDA SRS

C58H6JXO5L

PubChem

110950

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-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References