EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q0A43X3I6V
EPA CompTox	DTXSID20959324

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q0A43X3I6V

EPA CompTox

DTXSID20959324


InChI Key	XQVNZAVBAUQQHU-UHFFFAOYSA-N
Smiles	O([Si](O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C)(C=3C=CC=CC3)C)[Si](O[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C)(C=6C=CC=CC6)C
InChI	InChI=1/C40H42O3Si4/c1-44(35-23-11-5-12-24-35,36-25-13-6-14-26-36)41-46(3,39-31-19-9-20-32-39)43-47(4,40-33-21-10-22-34-40)42-45(2,37-27-15-7-16-28-37)38-29-17-8-18-30-38/h5-34H,1-4H3

InChI Key

XQVNZAVBAUQQHU-UHFFFAOYSA-N

Smiles

O([Si](O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C)(C=3C=CC=CC3)C)[Si](O[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C)(C=6C=CC=CC6)C

InChI

InChI=1/C40H42O3Si4/c1-44(35-23-11-5-12-24-35,36-25-13-6-14-26-36)41-46(3,39-31-19-9-20-32-39)43-47(4,40-33-21-10-22-34-40)42-45(2,37-27-15-7-16-28-37)38-29-17-8-18-30-38/h5-34H,1-4H3

Property Name	Value
Molecular Formula	C40H42O3Si4
Molecular Weight	682.22
AlogP	5.77
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	12.0
Polar Surface Area	27.69
Heavy Atoms	47.0

Property Name

Value

Molecular Formula

C40H42O3Si4

Molecular Weight

682.22

AlogP

5.77

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

12.0

Polar Surface Area

27.69

Heavy Atoms

47.0

Resources	Reference
CAS NUMBER	38421-40-8
NORMAN SUSDAT
FDA SRS	Q0A43X3I6V
PubChem	38026

Resources

Reference

CAS NUMBER

38421-40-8

NORMAN SUSDAT

FDA SRS

Q0A43X3I6V

PubChem

38026

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

1,3,5,7-TETRAMETHYL-1,1,3,5,7,7-HEXAPHENYLTETRASILOXANE

Structure

Physicochemical Descriptors

Cross References