EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XER357Y2L2
EPA CompTox	DTXSID70210134

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XER357Y2L2

EPA CompTox

DTXSID70210134


InChI Key	BBMMYRPBNQOFGU-UHFFFAOYSA-N
Smiles	ClCCC[Si](OC(C)C)(OC(C)C)OC(C)C
InChI	InChI=1/C12H27ClO3Si/c1-10(2)14-17(9-7-8-13,15-11(3)4)16-12(5)6/h10-12H,7-9H2,1-6H3

InChI Key

BBMMYRPBNQOFGU-UHFFFAOYSA-N

Smiles

ClCCC[Si](OC(C)C)(OC(C)C)OC(C)C

InChI

InChI=1/C12H27ClO3Si/c1-10(2)14-17(9-7-8-13,15-11(3)4)16-12(5)6/h10-12H,7-9H2,1-6H3

Property Name	Value
Molecular Formula	C12H27ClO3Si
Molecular Weight	282.14
AlogP	3.83
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	9.0
Polar Surface Area	27.69
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C12H27ClO3Si

Molecular Weight

282.14

AlogP

3.83

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

9.0

Polar Surface Area

27.69

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	61214-14-0
NORMAN SUSDAT
FDA SRS	XER357Y2L2
PubChem	3017246

Resources

Reference

CAS NUMBER

61214-14-0

NORMAN SUSDAT

FDA SRS

XER357Y2L2

PubChem

3017246

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

(3-CHLOROPROPYL)TRIS(1-METHYLETHOXY)SILANE

Structure

Physicochemical Descriptors

Cross References