EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Free-form
UNII	2L8R5QPV9A
EPA CompTox	DTXSID4062519

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Free-form

UNII

2L8R5QPV9A

EPA CompTox

DTXSID4062519


InChI Key	ZZNQQQWFKKTOSD-UHFFFAOYSA-N
Smiles	O(CC)[Si](OCC)(C=1C=CC=CC1)C=2C=CC=CC2
InChI	InChI=1/C16H20O2Si/c1-3-17-19(18-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3

InChI Key

ZZNQQQWFKKTOSD-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1/C16H20O2Si/c1-3-17-19(18-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3

Property Name	Value
Molecular Formula	C16H20O2Si
Molecular Weight	272.12
AlogP	2.32
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	18.46
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H20O2Si

Molecular Weight

272.12

AlogP

2.32

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

18.46

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	2553-19-7
NORMAN SUSDAT
FDA SRS	2L8R5QPV9A
PubChem	75705

Resources

Reference

CAS NUMBER

2553-19-7

NORMAN SUSDAT

FDA SRS

2L8R5QPV9A

PubChem

75705

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

DIETHOXYDIPHENYLSILANE

Structure

Physicochemical Descriptors

Cross References