EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6IOT4Y7V2B
EPA CompTox	DTXSID2052073

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6IOT4Y7V2B

EPA CompTox

DTXSID2052073


InChI Key	YFCVAZGXPLMNDG-UHFFFAOYSA-N
Smiles	O([Si](O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C)(C)C)[Si](C=3C=CC=CC3)(C=4C=CC=CC4)C
InChI	InChI=1/C28H32O2Si3/c1-31(2,29-32(3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30-33(4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,1-4H3

InChI Key

YFCVAZGXPLMNDG-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1/C28H32O2Si3/c1-31(2,29-32(3,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30-33(4,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24H,1-4H3

Property Name	Value
Molecular Formula	C28H32O2Si3
Molecular Weight	484.17
AlogP	4.5
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	18.46
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C28H32O2Si3

Molecular Weight

484.17

AlogP

4.5

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

18.46

Heavy Atoms

33.0

Resources	Reference
CAS NUMBER	3982-82-9
NORMAN SUSDAT
FDA SRS	6IOT4Y7V2B
PubChem	19882

Resources

Reference

CAS NUMBER

3982-82-9

NORMAN SUSDAT

FDA SRS

6IOT4Y7V2B

PubChem

19882

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...

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Last update: Monday, 3 November 2025

1,3,3,5-TETRAMETHYL-1,1,5,5-TETRAPHENYLTRISILOXANE

Structure

Physicochemical Descriptors

Cross References