EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RW24H5S6GT
EPA CompTox	DTXSID7067370

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RW24H5S6GT

EPA CompTox

DTXSID7067370


InChI Key	DVFZGWDMFKTMFQ-UHFFFAOYSA-N
Smiles	CCCCCCCCC(=O)OC(C)C
InChI	InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3

InChI Key

DVFZGWDMFKTMFQ-UHFFFAOYSA-N

Smiles

CCCCCCCCC(=O)OC(C)C

InChI

InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3

Property Name	Value
Molecular Formula	C12H24O2
Molecular Weight	200.18
AlogP	3.69
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	26.3
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H24O2

Molecular Weight

200.18

AlogP

3.69

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

26.3

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	28267-32-5
NORMAN SUSDAT
FDA SRS	RW24H5S6GT
PubChem	119911
ChemSpider	107064.0

Resources

Reference

CAS NUMBER

28267-32-5

NORMAN SUSDAT

FDA SRS

RW24H5S6GT

PubChem

119911

ChemSpider

107064.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

NONANOIC ACID, 1-METHYLETHYL ESTER

Structure

Physicochemical Descriptors

Cross References