EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z67J4Z3EFU
EPA CompTox	DTXSID40947147

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z67J4Z3EFU

EPA CompTox

DTXSID40947147


InChI Key	APTZVOCKCUIHMY-UHFFFAOYSA-N
Smiles	O=C(OCC)C(C(=O)C)CCCCCCCC
InChI	InChI=1/C14H26O3/c1-4-6-7-8-9-10-11-13(12(3)15)14(16)17-5-2/h13H,4-11H2,1-3H3

InChI Key

APTZVOCKCUIHMY-UHFFFAOYSA-N

Smiles

O=C(OCC)C(C(=O)C)CCCCCCCC

InChI

InChI=1/C14H26O3/c1-4-6-7-8-9-10-11-13(12(3)15)14(16)17-5-2/h13H,4-11H2,1-3H3

Property Name	Value
Molecular Formula	C14H26O3
Molecular Weight	242.19
AlogP	3.51
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	10.0
Polar Surface Area	43.37
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H26O3

Molecular Weight

242.19

AlogP

3.51

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

10.0

Polar Surface Area

43.37

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	24317-95-1
NORMAN SUSDAT
FDA SRS	Z67J4Z3EFU
PubChem	91163

Resources

Reference

CAS NUMBER

24317-95-1

NORMAN SUSDAT

FDA SRS

Z67J4Z3EFU

PubChem

91163

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 2-ACETYLDECANOATE

Structure

Physicochemical Descriptors

Cross References