EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Salt-form
UNII	79N4H930TT
EPA CompTox	DTXSID5042322

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Salt-form

UNII

79N4H930TT

EPA CompTox

DTXSID5042322


InChI Key	VAKMIIPDYZXBEV-DPMBMXLASA-M
Smiles	[K+].CCCCCC[C@@H](O)CC=C/CCCCCCCC(=O)[O-]
InChI	InChI=1/C18H34O3.K/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1

InChI Key

VAKMIIPDYZXBEV-DPMBMXLASA-M

Smiles

[K+].CCCCCC[C@@H](O)CC=C/CCCCCCCC(=O)[O-]

InChI

InChI=1/C18H34O3.K/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;+1/p-1

Property Name	Value
Molecular Formula	C18H33KO3
Molecular Weight	336.21
AlogP	0.75
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	15.0
Polar Surface Area	60.36
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C18H33KO3

Molecular Weight

336.21

AlogP

0.75

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

15.0

Polar Surface Area

60.36

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	7492-30-0
NORMAN SUSDAT
FDA SRS	79N4H930TT

Resources

Reference

CAS NUMBER

7492-30-0

NORMAN SUSDAT

FDA SRS

79N4H930TT

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

POTASSIUM RICINOLEATE

Structure

Physicochemical Descriptors

Cross References