EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID40976098

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID40976098


InChI Key	BLZDTVROPKIJLZ-UHFFFAOYSA-N
Smiles	O(CCC[Si]1(O[Si](O[Si](O[Si](O1)(C)CCCOCC2OC2)(C)CCCOCC3OC3)(C)CCCOCC4OC4)C)CC5OC5
InChI	InChI=1/C28H56O12Si4/c1-41(13-5-9-29-17-25-21-33-25)37-42(2,14-6-10-30-18-26-22-34-26)39-44(4,16-8-12-32-20-28-24-36-28)40-43(3,38-41)15-7-11-31-19-27-23-35-27/h25-28H,5-24H2,1-4H3

InChI Key

BLZDTVROPKIJLZ-UHFFFAOYSA-N

Smiles

O(CCC[Si]1(O[Si](O[Si](O[Si](O1)(C)CCCOCC2OC2)(C)CCCOCC3OC3)(C)CCCOCC4OC4)C)CC5OC5

InChI

InChI=1/C28H56O12Si4/c1-41(13-5-9-29-17-25-21-33-25)37-42(2,14-6-10-30-18-26-22-34-26)39-44(4,16-8-12-32-20-28-24-36-28)40-43(3,38-41)15-7-11-31-19-27-23-35-27/h25-28H,5-24H2,1-4H3

Property Name	Value
Molecular Formula	C28H56O12Si4
Molecular Weight	696.28
AlogP	3.58
Hydrogen Bond Acceptor	12.0
Number of Rotational Bond	24.0
Polar Surface Area	123.96
Heavy Atoms	44.0

Property Name

Value

Molecular Formula

C28H56O12Si4

Molecular Weight

696.28

AlogP

3.58

Hydrogen Bond Acceptor

12.0

Number of Rotational Bond

24.0

Polar Surface Area

123.96

Heavy Atoms

44.0

Resources	Reference
CAS NUMBER	60665-85-2
NORMAN SUSDAT
PubChem	108490

Resources

Reference

CAS NUMBER

60665-85-2

NORMAN SUSDAT

PubChem

108490

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...

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Last update: Monday, 3 November 2025

2,4,6,8-TETRAMETHYL-2,4,6,8-TETRAKIS[3-(OXIRANYLMETHOXY)PROPYL]CYCLOTETRASILOXANE

Structure

Physicochemical Descriptors

Cross References