EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	E7P36467ZZ
EPA CompTox	DTXSID00715425

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

E7P36467ZZ

EPA CompTox

DTXSID00715425


InChI Key	POGKENLOISLRIE-NBTZWHCOSA-N
Smiles	[Mg++].CCCCCC=C/CC=C/CCCCCCCC(O)=O
InChI	InChI=1S/C18H32O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+2/b7-6-,10-9-;

InChI Key

POGKENLOISLRIE-NBTZWHCOSA-N

Smiles

[Mg++].CCCCCC=C/CC=C/CCCCCCCC(O)=O

InChI

InChI=1S/C18H32O2.Mg/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+2/b7-6-,10-9-;

Property Name	Value
Molecular Formula	C18H32MgO2
Molecular Weight	304.22
AlogP	5.5
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	14.0
Polar Surface Area	37.3
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H32MgO2

Molecular Weight

304.22

AlogP

5.5

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

14.0

Polar Surface Area

37.3

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	5460-94-6
NORMAN SUSDAT
FDA SRS	E7P36467ZZ

Resources

Reference

CAS NUMBER

5460-94-6

NORMAN SUSDAT

FDA SRS

E7P36467ZZ

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

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Structure

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