EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID30887649

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID30887649


InChI Key	JUWDVKFMBOWEOL-UHFFFAOYSA-N
Smiles	O(CCC[Si](O[Si](O[Si](C)(C)C)(C)CCCOCC1OC1)(O[Si](C)(C)C)C)CC2OC2
InChI	InChI=1/C20H46O7Si4/c1-28(2,3)25-30(7,13-9-11-21-15-19-17-23-19)27-31(8,26-29(4,5)6)14-10-12-22-16-20-18-24-20/h19-20H,9-18H2,1-8H3

InChI Key

JUWDVKFMBOWEOL-UHFFFAOYSA-N

Smiles

O(CCC[Si](O[Si](O[Si](C)(C)C)(C)CCCOCC1OC1)(O[Si](C)(C)C)C)CC2OC2

InChI

InChI=1/C20H46O7Si4/c1-28(2,3)25-30(7,13-9-11-21-15-19-17-23-19)27-31(8,26-29(4,5)6)14-10-12-22-16-20-18-24-20/h19-20H,9-18H2,1-8H3

Property Name	Value
Molecular Formula	C20H46O7Si4
Molecular Weight	510.23
AlogP	4.46
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	18.0
Polar Surface Area	71.21
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C20H46O7Si4

Molecular Weight

510.23

AlogP

4.46

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

18.0

Polar Surface Area

71.21

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	69155-42-6
NORMAN SUSDAT
PubChem	261457

Resources

Reference

CAS NUMBER

69155-42-6

NORMAN SUSDAT

PubChem

261457

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

1,1,1,3,5,7,7,7-OCTAMETHYL-3,5-BIS[3-(OXIRANYLMETHOXY)PROPYL]TETRASILOXANE

Structure

Physicochemical Descriptors

Cross References