2-ethoxy-2-methyl-1,6,2-diazasilocane

C8H20N2OSi — CID 164778564

IUPAC2-ethoxy-2-methyl-1,6,2-diazasilocane
SMILESCCO[Si]1(C)CCCNCCN1
InChIInChI=1S/C8H20N2OSi/c1-3-11-12(2)8-4-5-9-6-7-10-12/h9-10H,3-8H2,1-2H3
InChIKeyADUSQOVRHPGNTF-UHFFFAOYSA-N
MW188.35 g/mol
LogP0.68
Rot. Bonds2

About 2-ethoxy-2-methyl-1,6,2-diazasilocane

2-ethoxy-2-methyl-1,6,2-diazasilocane (PubChem CID 164778564) has the molecular formula C8H20N2OSi and a molecular weight of 188.35 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1,6,2-diazasilocane.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1,6,2-diazasilocane
PubChem CID164778564
Molecular FormulaC8H20N2OSi
Molecular Weight188.35 g/mol
Exact Mass188.13
IUPAC Name2-ethoxy-2-methyl-1,6,2-diazasilocane
SMILESCCO[Si]1(C)CCCNCCN1
InChIInChI=1S/C8H20N2OSi/c1-3-11-12(2)8-4-5-9-6-7-10-12/h9-10H,3-8H2,1-2H3
InChIKeyADUSQOVRHPGNTF-UHFFFAOYSA-N
XLogP0.68
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-1,4-azasilepane
CID 54576757
1,4-diethoxy-1,4-dimethyl-1,4-disilinane
CID 140867723
ethane;propane;pyrrolidine
CID 91102166
azepane;triethoxysilane
CID 173012109
1,4,8,12-tetrazacyclopentadecane;1,4,8,11-tetrazacyclotetradecane;1,4,7,10-tetrazacyclotridecane
CID 23302195
piperazine;pyrrolidine
CID 22624324
1,4,7,10-tetrazacyclotridecane
CID 11478723
aziridine;propane
CID 160500673
1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
CID 159801771
CID 175822605
CID 175822605
1,4-diazonane;ethane
CID 176692085
diethoxy(dimethyl)silane;piperazine
CID 174814266

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1,6,2-diazasilocane?
The IUPAC name of 2-ethoxy-2-methyl-1,6,2-diazasilocane (CID 164778564) is 2-ethoxy-2-methyl-1,6,2-diazasilocane.
What is the SMILES notation for 2-ethoxy-2-methyl-1,6,2-diazasilocane?
The canonical SMILES for 2-ethoxy-2-methyl-1,6,2-diazasilocane is CCO[Si]1(C)CCCNCCN1.
What is the InChIKey of 2-ethoxy-2-methyl-1,6,2-diazasilocane?
The InChIKey is ADUSQOVRHPGNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2OSi/c1-3-11-12(2)8-4-5-9-6-7-10-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-2-methyl-1,6,2-diazasilocane?
2-ethoxy-2-methyl-1,6,2-diazasilocane has a molecular weight of 188.35 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1,6,2-diazasilocane is sourced from PubChem (CID 164778564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).