1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane

C7H14O4Si — CID 123748084

IUPAC1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane
SMILESCCO[Si]12OCC(C)(CO1)CO2
InChIInChI=1S/C7H14O4Si/c1-3-8-12-9-4-7(2,5-10-12)6-11-12/h3-6H2,1-2H3
InChIKeyLJXLSZKJXMHQFQ-UHFFFAOYSA-N
MW190.27 g/mol
LogP0.54
Rot. Bonds2

About 1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane

1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane (PubChem CID 123748084) has the molecular formula C7H14O4Si and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane
PubChem CID123748084
Molecular FormulaC7H14O4Si
Molecular Weight190.27 g/mol
Exact Mass190.07
IUPAC Name1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane
SMILESCCO[Si]12OCC(C)(CO1)CO2
InChIInChI=1S/C7H14O4Si/c1-3-8-12-9-4-7(2,5-10-12)6-11-12/h3-6H2,1-2H3
InChIKeyLJXLSZKJXMHQFQ-UHFFFAOYSA-N
XLogP0.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethoxyoxasilirane
CID 140622651
2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane
CID 13268656
2,5-diethoxy-2,5-dimethyl-1,4,2,5-dioxadisilinane
CID 90308478
2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
CID 141458444
2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine
CID 100950891
3,3,6,6-tetraethoxy-1,2,4,5,3,6-tetraoxadisilinane
CID 11066533
1,4-diethoxy-1,4-dimethyl-1,4-disilinane
CID 140867723
2,2-diethoxy-1,3-diethyl-1,3,2-diazasilolidine
CID 86092401
2,2-diethoxy-4-methyloxasilolane
CID 67389394
ethoxyethane;bis(3-ethyl-3-methyloxetane)
CID 69107324
(2S)-2-(diethoxymethyl)-2-methyloxirane
CID 101417400
CID 136832623
CID 136832623

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane?
The IUPAC name of 1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane (CID 123748084) is 1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane.
What is the SMILES notation for 1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane?
The canonical SMILES for 1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane is CCO[Si]12OCC(C)(CO1)CO2.
What is the InChIKey of 1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane?
The InChIKey is LJXLSZKJXMHQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4Si/c1-3-8-12-9-4-7(2,5-10-12)6-11-12/h3-6H2,1-2H3.
What are the key properties of 1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane?
1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane has a molecular weight of 190.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane is sourced from PubChem (CID 123748084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).