diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane

C22H50N2O2Si2 — CID 23150069

IUPACdiethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane
SMILESCCO[Si](C)(CC(C)CN1CCN([Si](C(C)C)(C(C)C)C(C)C)CC1)OCC
InChIInChI=1S/C22H50N2O2Si2/c1-11-25-27(10,26-12-2)18-22(9)17-23-13-15-24(16-14-23)28(19(3)4,20(5)6)21(7)8/h19-22H,11-18H2,1-10H3
InChIKeyMESDGJRNYZOWMY-UHFFFAOYSA-N
MW430.83 g/mol
LogP5.56
Rot. Bonds12

About diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane

diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane (PubChem CID 23150069) has the molecular formula C22H50N2O2Si2 and a molecular weight of 430.83 g/mol. Its IUPAC name is diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane.

Molecular Properties

Compound Namediethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane
PubChem CID23150069
Molecular FormulaC22H50N2O2Si2
Molecular Weight430.83 g/mol
Exact Mass430.34
IUPAC Namediethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane
SMILESCCO[Si](C)(CC(C)CN1CCN([Si](C(C)C)(C(C)C)C(C)C)CC1)OCC
InChIInChI=1S/C22H50N2O2Si2/c1-11-25-27(10,26-12-2)18-22(9)17-23-13-15-24(16-14-23)28(19(3)4,20(5)6)21(7)8/h19-22H,11-18H2,1-10H3
InChIKeyMESDGJRNYZOWMY-UHFFFAOYSA-N
XLogP5.56
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.83
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane?
The IUPAC name of diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane (CID 23150069) is diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane.
What is the SMILES notation for diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane?
The canonical SMILES for diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane is CCO[Si](C)(CC(C)CN1CCN([Si](C(C)C)(C(C)C)C(C)C)CC1)OCC.
What is the InChIKey of diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane?
The InChIKey is MESDGJRNYZOWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N2O2Si2/c1-11-25-27(10,26-12-2)18-22(9)17-23-13-15-24(16-14-23)28(19(3)4,20(5)6)21(7)8/h19-22H,11-18H2,1-10H3.
What are the key properties of diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane?
diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane has a molecular weight of 430.83 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-[2-methyl-3-[4-tri(propan-2-yl)silylpiperazin-1-yl]propyl]silane is sourced from PubChem (CID 23150069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).