EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	69HH5Z44E3
EPA CompTox	DTXSID00183302

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

69HH5Z44E3

EPA CompTox

DTXSID00183302


InChI Key	VEOWZIOSKBEQFI-UHFFFAOYSA-N
Smiles	O(C)[Si](OC)(OC)CCCSCCC[Si](OC)(OC)OC
InChI	InChI=1/C12H30O6SSi2/c1-13-20(14-2,15-3)11-7-9-19-10-8-12-21(16-4,17-5)18-6/h7-12H2,1-6H3

InChI Key

VEOWZIOSKBEQFI-UHFFFAOYSA-N

Smiles

O(C)[Si](OC)(OC)CCCSCCC[Si](OC)(OC)OC

InChI

InChI=1/C12H30O6SSi2/c1-13-20(14-2,15-3)11-7-9-19-10-8-12-21(16-4,17-5)18-6/h7-12H2,1-6H3

Property Name	Value
Molecular Formula	C12H30O6SSi2
Molecular Weight	358.13
AlogP	2.26
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	14.0
Polar Surface Area	55.38
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C12H30O6SSi2

Molecular Weight

358.13

AlogP

2.26

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

14.0

Polar Surface Area

55.38

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	29055-11-6
NORMAN SUSDAT
FDA SRS	69HH5Z44E3
PubChem	120121

Resources

Reference

CAS NUMBER

29055-11-6

NORMAN SUSDAT

FDA SRS

69HH5Z44E3

PubChem

120121

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

3,3,11,11-TETRAMETHOXY-2,12-DIOXA-7-THIA-3,11-DISILATRIDECANE

Structure

Physicochemical Descriptors

Cross References