EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
UNII	J7960S4R1T
EPA CompTox	DTXSID40182854

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

UNII

J7960S4R1T

EPA CompTox

DTXSID40182854


InChI Key	CIAZJIQGPOGZDS-UHFFFAOYSA-N
Smiles	C[Si](O[Si](O[Si](C)(C)C)(CCCCCCCCCCCCCC)C)(C)C
InChI	InChI=1S/C21H50O2Si3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-26(8,22-24(2,3)4)23-25(5,6)7/h9-21H2,1-8H3

InChI Key

CIAZJIQGPOGZDS-UHFFFAOYSA-N

Smiles

C[Si](O[Si](O[Si](C)(C)C)(CCCCCCCCCCCCCC)C)(C)C

InChI

InChI=1S/C21H50O2Si3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-26(8,22-24(2,3)4)23-25(5,6)7/h9-21H2,1-8H3

Property Name	Value
Molecular Formula	C21H50O2Si3
Molecular Weight	418.31
AlogP	8.46
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	17.0
Polar Surface Area	18.46
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C21H50O2Si3

Molecular Weight

418.31

AlogP

8.46

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

17.0

Polar Surface Area

18.46

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	286938-65-6
NORMAN SUSDAT
FDA SRS	J7960S4R1T
PubChem	71356150
ChemSpider	28591411.0

Resources

Reference

CAS NUMBER

286938-65-6

NORMAN SUSDAT

FDA SRS

J7960S4R1T

PubChem

71356150

ChemSpider

28591411.0

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

CAPRYL METHICONE

Structure

Physicochemical Descriptors

Cross References