EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	29026V137P
EPA CompTox	DTXSID5069330

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

29026V137P

EPA CompTox

DTXSID5069330


InChI Key	SHALBPKEGDBVKK-UHFFFAOYSA-N
Smiles	O(C=CC(O[Si](C)(C)C)=C)C
InChI	InChI=1/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3

InChI Key

SHALBPKEGDBVKK-UHFFFAOYSA-N

Smiles

O(C=CC(O[Si](C)(C)C)=C)C

InChI

InChI=1/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3

Property Name	Value
Molecular Formula	C8H16O2Si
Molecular Weight	172.09
AlogP	2.51
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	18.46
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H16O2Si

Molecular Weight

172.09

AlogP

2.51

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

18.46

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	59414-23-2
NORMAN SUSDAT
FDA SRS	29026V137P
PubChem	101051

Resources

Reference

CAS NUMBER

59414-23-2

NORMAN SUSDAT

FDA SRS

29026V137P

PubChem

101051

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

METHYL 3-TRIMETHYLSILYLOXYBUTA-1,3-DIEN-1-YL ETHER

Structure

Physicochemical Descriptors

Cross References