EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	69V746D1JO
EPA CompTox	DTXSID0058809

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

69V746D1JO

EPA CompTox

DTXSID0058809


InChI Key	IRVZFACCNZRHSJ-UHFFFAOYSA-N
Smiles	O1[Si](O[Si](O[Si](O[Si]1(C=2C=CC=CC2)C)(C=3C=CC=CC3)C)(C=4C=CC=CC4)C)(C=5C=CC=CC5)C
InChI	InChI=1/C28H32O4Si4/c1-33(25-17-9-5-10-18-25)29-34(2,26-19-11-6-12-20-26)31-36(4,28-23-15-8-16-24-28)32-35(3,30-33)27-21-13-7-14-22-27/h5-24H,1-4H3

InChI Key

IRVZFACCNZRHSJ-UHFFFAOYSA-N

Smiles

O1[Si](O[Si](O[Si](O[Si]1(C=2C=CC=CC2)C)(C=3C=CC=CC3)C)(C=4C=CC=CC4)C)(C=5C=CC=CC5)C

InChI

InChI=1/C28H32O4Si4/c1-33(25-17-9-5-10-18-25)29-34(2,26-19-11-6-12-20-26)31-36(4,28-23-15-8-16-24-28)32-35(3,30-33)27-21-13-7-14-22-27/h5-24H,1-4H3

Property Name	Value
Molecular Formula	C28H32O4Si4
Molecular Weight	544.14
AlogP	3.98
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	36.92
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C28H32O4Si4

Molecular Weight

544.14

AlogP

3.98

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

36.92

Heavy Atoms

36.0

Resources	Reference
CAS NUMBER	77-63-4
NORMAN SUSDAT
FDA SRS	69V746D1JO
PubChem	6487

Resources

Reference

CAS NUMBER

77-63-4

NORMAN SUSDAT

FDA SRS

69V746D1JO

PubChem

6487

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

2,4,6,8-TETRAMETHYL-2,4,6,8-TETRAPHENYLCYCLOTETRASILOXANE

Structure

Physicochemical Descriptors

Cross References