EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	54A20TN089
EPA CompTox	DTXSID7061144

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

54A20TN089

EPA CompTox

DTXSID7061144


InChI Key	RFGGTTPASBFBTB-UHFFFAOYSA-N
Smiles	O([Si](C=1C=CC=CC1)(C=2C=CC=CC2)C)[Si](C=3C=CC=CC3)(C=4C=CC=CC4)C
InChI	InChI=1/C26H26OSi2/c1-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27-29(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3

InChI Key

RFGGTTPASBFBTB-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1/C26H26OSi2/c1-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27-29(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3

Property Name	Value
Molecular Formula	C26H26OSi2
Molecular Weight	410.15
AlogP	3.78
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	9.23
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C26H26OSi2

Molecular Weight

410.15

AlogP

3.78

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

9.23

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	807-28-3
NORMAN SUSDAT
FDA SRS	54A20TN089
PubChem	13121

Resources

Reference

CAS NUMBER

807-28-3

NORMAN SUSDAT

FDA SRS

54A20TN089

PubChem

13121

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-DIMETHYL-1,1,3,3-TETRAPHENYLDISILOXANE

Structure

Physicochemical Descriptors

Cross References