EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D1U893M93Q
EPA CompTox	DTXSID6041187

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D1U893M93Q

EPA CompTox

DTXSID6041187


InChI Key	HGOBZGOWIVLKDF-UHFFFAOYSA-N
Smiles	ClCC[Si](OCC=1C=CC=CC1)(OCC=2C=CC=CC2)C
InChI	InChI=1/C17H21ClO2Si/c1-21(13-12-18,19-14-16-8-4-2-5-9-16)20-15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3

InChI Key

HGOBZGOWIVLKDF-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1/C17H21ClO2Si/c1-21(13-12-18,19-14-16-8-4-2-5-9-16)20-15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3

Property Name	Value
Molecular Formula	C17H21ClO2Si
Molecular Weight	320.1
AlogP	4.73
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	18.46
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C17H21ClO2Si

Molecular Weight

320.1

AlogP

4.73

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

18.46

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	41289-08-1
NORMAN SUSDAT
FDA SRS	D1U893M93Q
PubChem	94518

Resources

Reference

CAS NUMBER

41289-08-1

NORMAN SUSDAT

FDA SRS

D1U893M93Q

PubChem

94518

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BIS(BENZYLOXY)(2-CHLOROETHYL)METHYLSILANE

Structure

Physicochemical Descriptors

Cross References