EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D2D42X538B
EPA CompTox	DTXSID9065079

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D2D42X538B

EPA CompTox

DTXSID9065079


InChI Key	DGPNTCACXCHFDI-UHFFFAOYSA-N
Smiles	CCCCCCCCCC(=O)OCCCCCC
InChI	InChI=1S/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3

InChI Key

DGPNTCACXCHFDI-UHFFFAOYSA-N

Smiles

CCCCCCCCCC(=O)OCCCCCC

InChI

InChI=1S/C16H32O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h3-15H2,1-2H3

Property Name	Value
Molecular Formula	C16H32O2
Molecular Weight	256.24
AlogP	5.25
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	13.0
Polar Surface Area	26.3
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C16H32O2

Molecular Weight

256.24

AlogP

5.25

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

13.0

Polar Surface Area

26.3

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	10448-26-7
NORMAN SUSDAT
FDA SRS	D2D42X538B
PubChem	82635
ChemSpider	74572.0

Resources

Reference

CAS NUMBER

10448-26-7

NORMAN SUSDAT

FDA SRS

D2D42X538B

PubChem

82635

ChemSpider

74572.0

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

HEXYL DECANOATE

Structure

Physicochemical Descriptors

Cross References