EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YY7GL3CCE9
EPA CompTox	DTXSID60884126

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YY7GL3CCE9

EPA CompTox

DTXSID60884126


InChI Key	HNZDTAXZHUDITM-WLNPFYQQSA-N
Smiles	O=C1C=C2CCC3C(CCC4(C)C(O[Si](C)(C)C)CCC34)C2(C)CC1
InChI	InChI=1/C22H36O2Si/c1-21-12-10-16(23)14-15(21)6-7-17-18-8-9-20(24-25(3,4)5)22(18,2)13-11-19(17)21/h14,17-20H,6-13H2,1-5H3

InChI Key

HNZDTAXZHUDITM-WLNPFYQQSA-N

Smiles

O=C1C=C2CCC3C(CCC4(C)C(O[Si](C)(C)C)CCC34)C2(C)CC1

InChI

InChI=1/C22H36O2Si/c1-21-12-10-16(23)14-15(21)6-7-17-18-8-9-20(24-25(3,4)5)22(18,2)13-11-19(17)21/h14,17-20H,6-13H2,1-5H3

Property Name	Value
Molecular Formula	C22H36O2Si
Molecular Weight	360.25
AlogP	5.74
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	26.3
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C22H36O2Si

Molecular Weight

360.25

AlogP

5.74

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

26.3

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	5055-42-5
NORMAN SUSDAT
FDA SRS	YY7GL3CCE9
PubChem	68627

Resources

Reference

CAS NUMBER

5055-42-5

NORMAN SUSDAT

FDA SRS

YY7GL3CCE9

PubChem

68627

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

SILANDRONE

Structure

Physicochemical Descriptors

Cross References