EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID80456804

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID80456804


InChI Key	KHLWLJFRUQJJKQ-UHFFFAOYSA-N
Smiles	CO[Si](CCCN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC
InChI	InChI=1S/C18H45NO9Si3/c1-20-29(21-2,22-3)16-10-13-19(14-11-17-30(23-4,24-5)25-6)15-12-18-31(26-7,27-8)28-9/h10-18H2,1-9H3

InChI Key

KHLWLJFRUQJJKQ-UHFFFAOYSA-N

Smiles

CO[Si](CCCN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)(OC)OC

InChI

InChI=1S/C18H45NO9Si3/c1-20-29(21-2,22-3)16-10-13-19(14-11-17-30(23-4,24-5)25-6)15-12-18-31(26-7,27-8)28-9/h10-18H2,1-9H3

Property Name	Value
Molecular Formula	C18H45NO9Si3
Molecular Weight	503.24
AlogP	2.09
Hydrogen Bond Acceptor	10.0
Number of Rotational Bond	21.0
Polar Surface Area	86.31
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C18H45NO9Si3

Molecular Weight

503.24

AlogP

2.09

Hydrogen Bond Acceptor

10.0

Number of Rotational Bond

21.0

Polar Surface Area

86.31

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	82984-64-3
NORMAN SUSDAT
PubChem	11145564

Resources

Reference

CAS NUMBER

82984-64-3

NORMAN SUSDAT

PubChem

11145564

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

TRIS(TRIMETHOXYSILYLPROPYL)AMINE

Structure

Physicochemical Descriptors

Cross References