diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane

C12H27NO2Si — CID 67239929

IUPACdiethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane
SMILESCCO[Si](C)(CCCN1CCCC1)OCC
InChIInChI=1S/C12H27NO2Si/c1-4-14-16(3,15-5-2)12-8-11-13-9-6-7-10-13/h4-12H2,1-3H3
InChIKeyYBZVYMNLQWLJPH-UHFFFAOYSA-N
MW245.44 g/mol
LogP2.62
Rot. Bonds8

About diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane

diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane (PubChem CID 67239929) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane.

Molecular Properties

Compound Namediethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane
PubChem CID67239929
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Namediethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane
SMILESCCO[Si](C)(CCCN1CCCC1)OCC
InChIInChI=1S/C12H27NO2Si/c1-4-14-16(3,15-5-2)12-8-11-13-9-6-7-10-13/h4-12H2,1-3H3
InChIKeyYBZVYMNLQWLJPH-UHFFFAOYSA-N
XLogP2.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.62
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 diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane?
The IUPAC name of diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane (CID 67239929) is diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane.
What is the SMILES notation for diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane?
The canonical SMILES for diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane is CCO[Si](C)(CCCN1CCCC1)OCC.
What is the InChIKey of diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane?
The InChIKey is YBZVYMNLQWLJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-4-14-16(3,15-5-2)12-8-11-13-9-6-7-10-13/h4-12H2,1-3H3.
What are the key properties of diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane?
diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane has a molecular weight of 245.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-(3-pyrrolidin-1-ylpropyl)silane is sourced from PubChem (CID 67239929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).