EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
UNII	OC0TV05L8M
EPA CompTox	DTXSID1061441

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

UNII

OC0TV05L8M

EPA CompTox

DTXSID1061441


InChI Key	ZXDVQYBUEVYUCG-UHFFFAOYSA-N
Smiles	O(C)[Sn](OC)(CCCC)CCCC
InChI	InChI=1/2C4H9.2CH3O.Sn/c21-3-4-2;21-2;/h21,3-4H2,2H3;21H3;/q;;2*-1;+2/rC10H24O2Sn/c1-5-7-9-13(11-3,12-4)10-8-6-2/h5-10H2,1-4H3

InChI Key

ZXDVQYBUEVYUCG-UHFFFAOYSA-N

Smiles

O(C)[Sn](OC)(CCCC)CCCC

InChI

InChI=1/2C4H9.2CH3O.Sn/c2*1-3-4-2;2*1-2;/h2*1,3-4H2,2H3;2*1H3;/q;;2*-1;+2/rC10H24O2Sn/c1-5-7-9-13(11-3,12-4)10-8-6-2/h5-10H2,1-4H3

Property Name	Value
Molecular Formula	C10H24O2Sn
Molecular Weight	296.08
AlogP	3.32
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	18.46
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H24O2Sn

Molecular Weight

296.08

AlogP

3.32

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

18.46

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	1067-55-6
NORMAN SUSDAT
FDA SRS	OC0TV05L8M

Resources

Reference

CAS NUMBER

1067-55-6

NORMAN SUSDAT

FDA SRS

OC0TV05L8M

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

DIBUTYLDIMETHOXYSTANNANE

Structure

Physicochemical Descriptors

Cross References