EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9X93JM12WM
EPA CompTox	DTXSID8022537

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9X93JM12WM

EPA CompTox

DTXSID8022537


InChI Key	YQJPWWLJDNCSCN-UHFFFAOYSA-N
Smiles	O([Si](C=1C=CC=CC1)(C)C)[Si](C=2C=CC=CC2)(C)C
InChI	InChI=1/C16H22OSi2/c1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3

InChI Key

YQJPWWLJDNCSCN-UHFFFAOYSA-N

Smiles

O([Si](C=1C=CC=CC1)(C)C)[Si](C=2C=CC=CC2)(C)C

InChI

InChI=1/C16H22OSi2/c1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3

Property Name	Value
Molecular Formula	C16H22OSi2
Molecular Weight	286.12
AlogP	3.23
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	9.23
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H22OSi2

Molecular Weight

286.12

AlogP

3.23

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

9.23

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	56-33-7
NORMAN SUSDAT
FDA SRS	9X93JM12WM
PubChem	5945

Resources

Reference

CAS NUMBER

56-33-7

NORMAN SUSDAT

FDA SRS

9X93JM12WM

PubChem

5945

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

1,1,3,3-TETRAMETHYL-1,3-DIPHENYLDISILOXANE

Structure

Physicochemical Descriptors

Cross References