1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane

C12H27NO2Si2 — CID 134822025

IUPAC—
SMILESCCO[Si](C)(CCCN1CC[Si]CC1)OCC
InChIInChI=1S/C12H27NO2Si2/c1-4-14-17(3,15-5-2)12-6-7-13-8-10-16-11-9-13/h4-12H2,1-3H3
InChIKeyUSUOJSRPTWPLLD-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.38
Rot. Bonds8

About 1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane

1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane (PubChem CID 134822025) has the molecular formula C12H27NO2Si2 and a molecular weight of 273.52 g/mol.

Molecular Properties

Compound Name1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane
PubChem CID134822025
Molecular FormulaC12H27NO2Si2
Molecular Weight273.52 g/mol
Exact Mass273.16
IUPAC Name—
SMILESCCO[Si](C)(CCCN1CC[Si]CC1)OCC
InChIInChI=1S/C12H27NO2Si2/c1-4-14-17(3,15-5-2)12-6-7-13-8-10-16-11-9-13/h4-12H2,1-3H3
InChIKeyUSUOJSRPTWPLLD-UHFFFAOYSA-N
XLogP2.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane?
The IUPAC name of 1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane (CID 134822025) is not available.
What is the SMILES notation for 1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane?
The canonical SMILES for 1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane is CCO[Si](C)(CCCN1CC[Si]CC1)OCC.
What is the InChIKey of 1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane?
The InChIKey is USUOJSRPTWPLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si2/c1-4-14-17(3,15-5-2)12-6-7-13-8-10-16-11-9-13/h4-12H2,1-3H3.
What are the key properties of 1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane?
1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane has a molecular weight of 273.52 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-(Diethoxymethylsilyl)propyl)-1-aza-4-silacyclohexane is sourced from PubChem (CID 134822025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).