EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4E4Y86LTU6
EPA CompTox	DTXSID20170698

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4E4Y86LTU6

EPA CompTox

DTXSID20170698


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


InChI Key	AMZNFNXOVYDPBW-UHFFFAOYSA-N
Smiles	O=C(OCCC[Si](O[Si](C)(C)CCCOC(=O)C=C)(C)C)C=C
InChI	InChI=1/C16H30O5Si2/c1-7-15(17)19-11-9-13-22(3,4)21-23(5,6)14-10-12-20-16(18)8-2/h7-8H,1-2,9-14H2,3-6H3

InChI Key

AMZNFNXOVYDPBW-UHFFFAOYSA-N

Smiles

O=C(OCCC[Si](O[Si](C)(C)CCCOC(=O)C=C)(C)C)C=C

InChI

InChI=1/C16H30O5Si2/c1-7-15(17)19-11-9-13-22(3,4)21-23(5,6)14-10-12-20-16(18)8-2/h7-8H,1-2,9-14H2,3-6H3

Property Name	Value
Molecular Formula	C16H30O5Si2
Molecular Weight	358.16
AlogP	3.65
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	12.0
Polar Surface Area	61.83
Molecular species	None
Aromatic Rings	0.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C16H30O5Si2

Molecular Weight

358.16

AlogP

3.65

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

12.0

Polar Surface Area

61.83

Molecular species

None

Aromatic Rings

0.0

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	17898-71-4
NORMAN SUSDAT
FDA SRS	4E4Y86LTU6
PubChem	87357

Resources

Reference

CAS NUMBER

17898-71-4

NORMAN SUSDAT

FDA SRS

4E4Y86LTU6

PubChem

87357


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).

(1,1,3,3-TETRAMETHYLDISILOXANE-1,3-DIYL)DIPROPANE-1,3-DIYL DIACRYLATE

Structure

Physicochemical Descriptors

Cross References