1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate

C13H25NO4Si — CID 76783339

IUPAC1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate
SMILESCOC(=O)C1C[Si](C)(C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4Si/c1-13(2,3)18-12(16)14-7-8-19(5,6)9-10(14)11(15)17-4/h10H,7-9H2,1-6H3
InChIKeyQWMIJXWEAWSDDS-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.49
Rot. Bonds1

About 1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate

1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate (PubChem CID 76783339) has the molecular formula C13H25NO4Si and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate
PubChem CID76783339
Molecular FormulaC13H25NO4Si
Molecular Weight287.43 g/mol
Exact Mass287.16
IUPAC Name1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate
SMILESCOC(=O)C1C[Si](C)(C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO4Si/c1-13(2,3)18-12(16)14-7-8-19(5,6)9-10(14)11(15)17-4/h10H,7-9H2,1-6H3
InChIKeyQWMIJXWEAWSDDS-UHFFFAOYSA-N
XLogP2.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.49
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 1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate (CID 76783339) is 1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate is COC(=O)C1C[Si](C)(C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate?
The InChIKey is QWMIJXWEAWSDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4Si/c1-13(2,3)18-12(16)14-7-8-19(5,6)9-10(14)11(15)17-4/h10H,7-9H2,1-6H3.
What are the key properties of 1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate?
1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate has a molecular weight of 287.43 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 2-O-methyl 4,4-dimethyl-1,4-azasilinane-1,2-dicarboxylate is sourced from PubChem (CID 76783339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).