EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID6051807

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID6051807


InChI Key	SCRSFLUHMDMRFP-UHFFFAOYSA-N
Smiles	O([Si](C)(C)C)[Si](O[Si](C)(C)C)(C)CCCCCCCC
InChI	InChI=1/C15H38O2Si3/c1-9-10-11-12-13-14-15-20(8,16-18(2,3)4)17-19(5,6)7/h9-15H2,1-8H3

InChI Key

SCRSFLUHMDMRFP-UHFFFAOYSA-N

Smiles

O([Si](C)(C)C)[Si](O[Si](C)(C)C)(C)CCCCCCCC

InChI

InChI=1/C15H38O2Si3/c1-9-10-11-12-13-14-15-20(8,16-18(2,3)4)17-19(5,6)7/h9-15H2,1-8H3

Property Name	Value
Molecular Formula	C15H38O2Si3
Molecular Weight	334.22
AlogP	6.12
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	18.46
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H38O2Si3

Molecular Weight

334.22

AlogP

6.12

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

11.0

Polar Surface Area

18.46

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	17955-88-3
NORMAN SUSDAT
PubChem	87373

Resources

Reference

CAS NUMBER

17955-88-3

NORMAN SUSDAT

PubChem

87373

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

1,1,1,3,5,5,5-HEPTAMETHYL-3-OCTYLTRISILOXANE

Structure

Physicochemical Descriptors

Cross References