EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Salt-form
UNII	9W0D6VB8FH
EPA CompTox	DTXSID9066596

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Salt-form

UNII

9W0D6VB8FH

EPA CompTox

DTXSID9066596


InChI Key	KJSPVJJOPONRTK-UHFFFAOYSA-M
Smiles	[Li+].CCCCCCCCCCCCCC(=O)[O-]
InChI	InChI=1/C14H28O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1

InChI Key

KJSPVJJOPONRTK-UHFFFAOYSA-M

Smiles

[Li+].CCCCCCCCCCCCCC(=O)[O-]

InChI

InChI=1/C14H28O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1

Property Name	Value
Molecular Formula	C14H27LiO2
Molecular Weight	234.22
AlogP	0.44
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	12.0
Polar Surface Area	40.13
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H27LiO2

Molecular Weight

234.22

AlogP

0.44

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

12.0

Polar Surface Area

40.13

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	20336-96-3
NORMAN SUSDAT
FDA SRS	9W0D6VB8FH
PubChem	23688912
ChemSpider	146878.0

Resources

Reference

CAS NUMBER

20336-96-3

NORMAN SUSDAT

FDA SRS

9W0D6VB8FH

PubChem

23688912

ChemSpider

146878.0

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

LITHIUM MYRISTATE

Structure

Physicochemical Descriptors

Cross References