EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F49WGB88RM
EPA CompTox	DTXSID10240718

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F49WGB88RM

EPA CompTox

DTXSID10240718


InChI Key	KDBDGXGCXZIIDT-UHFFFAOYSA-N
Smiles	O(C)[Si](OC)(OC)O[Sn](O[Si](OC)(OC)OC)(CCCC)CCCC
InChI	InChI=1/2C4H9.2C3H9O4Si.Sn/c21-3-4-2;21-5-8(4,6-2)7-3;/h21,3-4H2,2H3;21-3H3;/q;;2*-1;+2/rC14H36O8Si2Sn/c1-9-11-13-25(14-12-10-2,21-23(15-3,16-4)17-5)22-24(18-6,19-7)20-8/h9-14H2,1-8H3

InChI Key

KDBDGXGCXZIIDT-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1/2C4H9.2C3H9O4Si.Sn/c2*1-3-4-2;2*1-5-8(4,6-2)7-3;/h2*1,3-4H2,2H3;2*1-3H3;/q;;2*-1;+2/rC14H36O8Si2Sn/c1-9-11-13-25(14-12-10-2,21-23(15-3,16-4)17-5)22-24(18-6,19-7)20-8/h9-14H2,1-8H3

Property Name	Value
Molecular Formula	C14H36O8Si2Sn
Molecular Weight	508.1
AlogP	2.81
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	16.0
Polar Surface Area	73.84
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C14H36O8Si2Sn

Molecular Weight

508.1

AlogP

2.81

Hydrogen Bond Acceptor

8.0

Number of Rotational Bond

16.0

Polar Surface Area

73.84

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	94134-56-2
NORMAN SUSDAT
FDA SRS	F49WGB88RM

Resources

Reference

CAS NUMBER

94134-56-2

NORMAN SUSDAT

FDA SRS

F49WGB88RM

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

5,5-DIBUTYL-3,3,7,7-TETRAMETHOXY-2,4,6,8-TETRAOXA-3,7-DISILA-5-STANNANONANE

Structure

Physicochemical Descriptors

Cross References