tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane

C20H42N2O3Si2 — CID 89467231

IUPACtert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si](C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42N2O3Si2/c1-15(2)17-19(24-7)21-16(18(22-17)23-6)14-26(8,9)13-12-25-27(10,11)20(3,4)5/h15-17H,12-14H2,1-11H3/t16-,17+/m0/s1
InChIKeyOJZOAXJHZGOVTM-DLBZAZTESA-N
MW414.74 g/mol
LogP5.21
Rot. Bonds7

About tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane

tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane (PubChem CID 89467231) has the molecular formula C20H42N2O3Si2 and a molecular weight of 414.74 g/mol. Its IUPAC name is tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane
PubChem CID89467231
Molecular FormulaC20H42N2O3Si2
Molecular Weight414.74 g/mol
Exact Mass414.27
IUPAC Nametert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si](C)(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42N2O3Si2/c1-15(2)17-19(24-7)21-16(18(22-17)23-6)14-26(8,9)13-12-25-27(10,11)20(3,4)5/h15-17H,12-14H2,1-11H3/t16-,17+/m0/s1
InChIKeyOJZOAXJHZGOVTM-DLBZAZTESA-N
XLogP5.21
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.74
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane (CID 89467231) is tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1C[Si](C)(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane?
The InChIKey is OJZOAXJHZGOVTM-DLBZAZTESA-N. The full InChI is InChI=1S/C20H42N2O3Si2/c1-15(2)17-19(24-7)21-16(18(22-17)23-6)14-26(8,9)13-12-25-27(10,11)20(3,4)5/h15-17H,12-14H2,1-11H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane?
tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane has a molecular weight of 414.74 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl-dimethylsilyl]ethoxy]-dimethylsilane is sourced from PubChem (CID 89467231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).