EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Free-form
UNII	95WZX4A6PF
EPA CompTox	DTXSID00159204

Keyword(s):

Drinking Water Chemicals

Molecule Category

Free-form

UNII

95WZX4A6PF

EPA CompTox

DTXSID00159204


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	PLIQJFWLOPQNGV-UHFFFAOYSA-N
Smiles	ClCCCC(OCC)(OCC)[SiH3]
InChI	InChI=1/C8H19ClO2Si/c1-3-10-8(12,11-4-2)6-5-7-9/h3-7H2,1-2,12H3

InChI Key

PLIQJFWLOPQNGV-UHFFFAOYSA-N

Smiles

ClCCCC(OCC)(OCC)[SiH3]

InChI

InChI=1/C8H19ClO2Si/c1-3-10-8(12,11-4-2)6-5-7-9/h3-7H2,1-2,12H3

Property Name	Value
Molecular Formula	C8H19ClO2Si
Molecular Weight	210.08
AlogP	1.1
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	7.0
Polar Surface Area	18.46
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H19ClO2Si

Molecular Weight

210.08

AlogP

1.1

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

7.0

Polar Surface Area

18.46

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	13501-76-3
NORMAN SUSDAT
FDA SRS	95WZX4A6PF

Resources

Reference

CAS NUMBER

13501-76-3

NORMAN SUSDAT

FDA SRS

95WZX4A6PF


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

(3-CHLOROPROPYL)DIETHOXYMETHYLSILANE

Structure

Physicochemical Descriptors

Cross References