3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane

C12H29NO2Si2 — CID 3056900

IUPAC3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane
SMILESCCOC(OCC)[SiH2]CCCN1CC[SiH2]CC1
InChIInChI=1S/C12H29NO2Si2/c1-3-14-12(15-4-2)17-9-5-6-13-7-10-16-11-8-13/h12H,3-11,16-17H2,1-2H3
InChIKeyVMINPPYQRJJUAT-UHFFFAOYSA-N
MW275.54 g/mol
LogP0.64
Rot. Bonds9

About 3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane

3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane (PubChem CID 3056900) has the molecular formula C12H29NO2Si2 and a molecular weight of 275.54 g/mol. Its IUPAC name is 3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane.

Molecular Properties

Compound Name3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane
PubChem CID3056900
Molecular FormulaC12H29NO2Si2
Molecular Weight275.54 g/mol
Exact Mass275.17
IUPAC Name3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane
SMILESCCOC(OCC)[SiH2]CCCN1CC[SiH2]CC1
InChIInChI=1S/C12H29NO2Si2/c1-3-14-12(15-4-2)17-9-5-6-13-7-10-16-11-8-13/h12H,3-11,16-17H2,1-2H3
InChIKeyVMINPPYQRJJUAT-UHFFFAOYSA-N
XLogP0.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.54
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane?
The IUPAC name of 3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane (CID 3056900) is 3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane.
What is the SMILES notation for 3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane?
The canonical SMILES for 3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane is CCOC(OCC)[SiH2]CCCN1CC[SiH2]CC1.
What is the InChIKey of 3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane?
The InChIKey is VMINPPYQRJJUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO2Si2/c1-3-14-12(15-4-2)17-9-5-6-13-7-10-16-11-8-13/h12H,3-11,16-17H2,1-2H3.
What are the key properties of 3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane?
3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane has a molecular weight of 275.54 g/mol, XLogP of 0.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane is sourced from PubChem (CID 3056900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).