EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FEJ212C272
EPA CompTox	DTXSID10165856

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FEJ212C272

EPA CompTox

DTXSID10165856


InChI Key	MCWDXHYYYNGYGK-UHFFFAOYSA-N
Smiles	CCOC(=O)C=C1CCCCC1
InChI	InChI=1S/C10H16O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h8H,2-7H2,1H3

InChI Key

MCWDXHYYYNGYGK-UHFFFAOYSA-N

Smiles

CCOC(=O)C=C1CCCCC1

InChI

InChI=1S/C10H16O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h8H,2-7H2,1H3

Property Name	Value
Molecular Formula	C10H16O2
Molecular Weight	168.12
AlogP	2.44
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	26.3
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H16O2

Molecular Weight

168.12

AlogP

2.44

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

26.3

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	1552-92-7
NORMAN SUSDAT
FDA SRS	FEJ212C272
PubChem	73776
ChemSpider	66414.0

Resources

Reference

CAS NUMBER

1552-92-7

NORMAN SUSDAT

FDA SRS

FEJ212C272

PubChem

73776

ChemSpider

66414.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ETHYL CYCLOHEXYLIDENEACETATE

Structure

Physicochemical Descriptors

Cross References