EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P2WG77JRF6
EPA CompTox	DTXSID00209172

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P2WG77JRF6

EPA CompTox

DTXSID00209172


InChI Key	BEIGMLFXAHJFME-UHFFFAOYSA-N
Smiles	CC(=O)OCCCC1CCCCC1
InChI	InChI=1S/C11H20O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h11H,2-9H2,1H3

InChI Key

BEIGMLFXAHJFME-UHFFFAOYSA-N

Smiles

CC(=O)OCCCC1CCCCC1

InChI

InChI=1S/C11H20O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h11H,2-9H2,1H3

Property Name	Value
Molecular Formula	C11H20O2
Molecular Weight	184.15
AlogP	2.91
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	26.3
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H20O2

Molecular Weight

184.15

AlogP

2.91

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

26.3

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	60416-24-2
NORMAN SUSDAT
FDA SRS	P2WG77JRF6
PubChem	108940
ChemSpider	97969.0

Resources

Reference

CAS NUMBER

60416-24-2

NORMAN SUSDAT

FDA SRS

P2WG77JRF6

PubChem

108940

ChemSpider

97969.0

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

CYCLOHEXYLPROPYL ACETATE

Structure

Physicochemical Descriptors

Cross References