EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P5R2HHM49K
EPA CompTox	DTXSID4072942

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P5R2HHM49K

EPA CompTox

DTXSID4072942


InChI Key	LVILMLNOLVAYLR-UHFFFAOYSA-N
Smiles	O(CC)[Si](OCC)(OCC)O[Sn](O[Si](OCC)(OCC)OCC)(CCCC)CCCC
InChI	InChI=1/2C6H15O4Si.2C4H9.Sn/c21-4-8-11(7,9-5-2)10-6-3;21-3-4-2;/h24-6H2,1-3H3;21,3-4H2,2H3;/q2*-1;;;+2/rC20H48O8Si2Sn/c1-9-17-19-31(20-18-10-2,27-29(21-11-3,22-12-4)23-13-5)28-30(24-14-6,25-15-7)26-16-8/h9-20H2,1-8H3

InChI Key

LVILMLNOLVAYLR-UHFFFAOYSA-N

Smiles

O(CC)[Si](OCC)(OCC)O[Sn](O[Si](OCC)(OCC)OCC)(CCCC)CCCC

InChI

InChI=1/2C6H15O4Si.2C4H9.Sn/c2*1-4-8-11(7,9-5-2)10-6-3;2*1-3-4-2;/h2*4-6H2,1-3H3;2*1,3-4H2,2H3;/q2*-1;;;+2/rC20H48O8Si2Sn/c1-9-17-19-31(20-18-10-2,27-29(21-11-3,22-12-4)23-13-5)28-30(24-14-6,25-15-7)26-16-8/h9-20H2,1-8H3

Property Name	Value
Molecular Formula	C20H48O8Si2Sn
Molecular Weight	592.19
AlogP	5.15
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	22.0
Polar Surface Area	73.84
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C20H48O8Si2Sn

Molecular Weight

592.19

AlogP

5.15

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

22.0

Polar Surface Area

73.84

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	87735-26-0
NORMAN SUSDAT
FDA SRS	P5R2HHM49K

Resources

Reference

CAS NUMBER

87735-26-0

NORMAN SUSDAT

FDA SRS

P5R2HHM49K

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

6,6-DIBUTYL-4,4,8,8-TETRAETHOXY-3,5,7,9-TETRAOXA-4,8-DISILA-6-STANNAUNDECANE

Structure

Physicochemical Descriptors

Cross References