trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate

C14H33NO4Si3 — CID 12013276

IUPACtrimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate
SMILESC[Si](C)(C)OC(=O)N1CCO[Si](C)(C)CC[Si](C)(C)OCC1
InChIInChI=1S/C14H33NO4Si3/c1-20(2,3)19-14(16)15-8-10-17-21(4,5)12-13-22(6,7)18-11-9-15/h8-13H2,1-7H3
InChIKeyXMULHOQLNIPFPG-UHFFFAOYSA-N
MW363.68 g/mol
LogP3.72
Rot. Bonds1

About trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate

trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate (PubChem CID 12013276) has the molecular formula C14H33NO4Si3 and a molecular weight of 363.68 g/mol. Its IUPAC name is trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate
PubChem CID12013276
Molecular FormulaC14H33NO4Si3
Molecular Weight363.68 g/mol
Exact Mass363.17
IUPAC Nametrimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate
SMILESC[Si](C)(C)OC(=O)N1CCO[Si](C)(C)CC[Si](C)(C)OCC1
InChIInChI=1S/C14H33NO4Si3/c1-20(2,3)19-14(16)15-8-10-17-21(4,5)12-13-22(6,7)18-11-9-15/h8-13H2,1-7H3
InChIKeyXMULHOQLNIPFPG-UHFFFAOYSA-N
XLogP3.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.68
LogP ≤ 53.72
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 trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate?
The IUPAC name of trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate (CID 12013276) is trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate.
What is the SMILES notation for trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate?
The canonical SMILES for trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate is C[Si](C)(C)OC(=O)N1CCO[Si](C)(C)CC[Si](C)(C)OCC1.
What is the InChIKey of trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate?
The InChIKey is XMULHOQLNIPFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33NO4Si3/c1-20(2,3)19-14(16)15-8-10-17-21(4,5)12-13-22(6,7)18-11-9-15/h8-13H2,1-7H3.
What are the key properties of trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate?
trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate has a molecular weight of 363.68 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,2,5,5-tetramethyl-1,6-dioxa-9-aza-2,5-disilacycloundecane-9-carboxylate is sourced from PubChem (CID 12013276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).