EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	SP66BF9QP7
EPA CompTox	DTXSID6027470

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

SP66BF9QP7

EPA CompTox

DTXSID6027470


InChI Key	RXROCZREIWVERD-UHFFFAOYSA-L
Smiles	[Cd+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-]
InChI	InChI=1/2C8H16O2.Cd/c21-3-5-6-7(4-2)8(9)10;/h27H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2

InChI Key

RXROCZREIWVERD-UHFFFAOYSA-L

Smiles

[Cd+2].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-]

InChI

InChI=1/2C8H16O2.Cd/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2

Property Name	Value
Molecular Formula	C16H30CdO4
Molecular Weight	400.12
AlogP	1.9
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	80.26
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H30CdO4

Molecular Weight

400.12

AlogP

1.9

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

10.0

Polar Surface Area

80.26

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	2420-98-6
NORMAN SUSDAT
FDA SRS	SP66BF9QP7

Resources

Reference

CAS NUMBER

2420-98-6

NORMAN SUSDAT

FDA SRS

SP66BF9QP7

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

CADMIUM BIS(2-ETHYLHEXANOATE)

Structure

Physicochemical Descriptors

Cross References