EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20905821

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20905821


InChI Key	MHMMYIFFVCHQCY-UHFFFAOYSA-N
Smiles	ClCC=1C=CC=CC1CC[Si](OCC)(OCC)OCC
InChI	InChI=1/C15H25ClO3Si/c1-4-17-20(18-5-2,19-6-3)12-11-14-9-7-8-10-15(14)13-16/h7-10H,4-6,11-13H2,1-3H3

InChI Key

MHMMYIFFVCHQCY-UHFFFAOYSA-N

Smiles

ClCC=1C=CC=CC1CC[Si](OCC)(OCC)OCC

InChI

InChI=1/C15H25ClO3Si/c1-4-17-20(18-5-2,19-6-3)12-11-14-9-7-8-10-15(14)13-16/h7-10H,4-6,11-13H2,1-3H3

Property Name	Value
Molecular Formula	C15H25ClO3Si
Molecular Weight	316.13
AlogP	4.02
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	10.0
Polar Surface Area	27.69
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H25ClO3Si

Molecular Weight

316.13

AlogP

4.02

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

10.0

Polar Surface Area

27.69

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	10088-50-3
NORMAN SUSDAT
PubChem	18795114

Resources

Reference

CAS NUMBER

10088-50-3

NORMAN SUSDAT

PubChem

18795114

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-[(CHLOROMETHYL)PHENYL]ETHYL]TRIETHOXYSILANE

Structure

Physicochemical Descriptors

Cross References