EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	519A78R12Y
EPA CompTox	DTXSID1027138

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

519A78R12Y

EPA CompTox

DTXSID1027138


InChI Key	UHWHOFACAGMBHK-UHFFFAOYSA-L
Smiles	[SnH2++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O
InChI	InChI=1/2C8H16O2.Sn.2H/c21-3-5-6-7(4-2)8(9)10;;;/h27H,3-6H2,1-2H3,(H,9,10);;;/q;;+2;;/p-2

InChI Key

UHWHOFACAGMBHK-UHFFFAOYSA-L

Smiles

[SnH2++].CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O

InChI

InChI=1/2C8H16O2.Sn.2H/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	C16H32O4Sn
Molecular Weight	408.13
AlogP	1.75
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

C16H32O4Sn

Molecular Weight

408.13

AlogP

1.75

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

10.0

Polar Surface Area

80.26

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	301-10-0
NORMAN SUSDAT
FDA SRS	519A78R12Y

Resources

Reference

CAS NUMBER

301-10-0

NORMAN SUSDAT

FDA SRS

519A78R12Y

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

TIN BIS(2-ETHYLHEXANOATE)

Structure

Physicochemical Descriptors

Cross References