1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

C8H17NO4Si — CID 59936764

IUPAC1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
SMILESCO[Si]12OCCN(CCO1)CC(C)O2
InChIInChI=1S/C8H17NO4Si/c1-8-7-9-3-5-11-14(10-2,13-8)12-6-4-9/h8H,3-7H2,1-2H3
InChIKeyQTKWOYJEBHBNSZ-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.16
Rot. Bonds1

About 1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane (PubChem CID 59936764) has the molecular formula C8H17NO4Si and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.

Molecular Properties

Compound Name1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
PubChem CID59936764
Molecular FormulaC8H17NO4Si
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
SMILESCO[Si]12OCCN(CCO1)CC(C)O2
InChIInChI=1S/C8H17NO4Si/c1-8-7-9-3-5-11-14(10-2,13-8)12-6-4-9/h8H,3-7H2,1-2H3
InChIKeyQTKWOYJEBHBNSZ-UHFFFAOYSA-N
XLogP-0.16
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The IUPAC name of 1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane (CID 59936764) is 1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane.
What is the SMILES notation for 1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The canonical SMILES for 1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane is CO[Si]12OCCN(CCO1)CC(C)O2.
What is the InChIKey of 1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
The InChIKey is QTKWOYJEBHBNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4Si/c1-8-7-9-3-5-11-14(10-2,13-8)12-6-4-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane?
1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane has a molecular weight of 219.31 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane is sourced from PubChem (CID 59936764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).