EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9862TW94B2
EPA CompTox	DTXSID5066405

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9862TW94B2

EPA CompTox

DTXSID5066405


InChI Key	GVPDNFYOFKBFEN-UHFFFAOYSA-N
Smiles	O(CCCCCCCCCCCCCCCCCC)[Si](C)(C)C
InChI	InChI=1/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2,3)4/h5-21H2,1-4H3

InChI Key

GVPDNFYOFKBFEN-UHFFFAOYSA-N

Smiles

O(CCCCCCCCCCCCCCCCCC)[Si](C)(C)C

InChI

InChI=1/C21H46OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2,3)4/h5-21H2,1-4H3

Property Name	Value
Molecular Formula	C21H46OSi
Molecular Weight	342.33
AlogP	8.1
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	18.0
Polar Surface Area	9.23
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C21H46OSi

Molecular Weight

342.33

AlogP

8.1

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

18.0

Polar Surface Area

9.23

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	18748-98-6
NORMAN SUSDAT
FDA SRS	9862TW94B2
PubChem	87778

Resources

Reference

CAS NUMBER

18748-98-6

NORMAN SUSDAT

FDA SRS

9862TW94B2

PubChem

87778

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

TRIMETHYL(OCTADECYLOXY)SILANE

Structure

Physicochemical Descriptors

Cross References