trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate

C17H33NO2Si2 — CID 19421019

IUPACtrimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate
SMILESC[Si](C)(C)NC1(C(=O)O[Si](C)(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H33NO2Si2/c1-21(2,3)18-17(16(19)20-22(4,5)6)14-8-12-7-13(10-14)11-15(17)9-12/h12-15,18H,7-11H2,1-6H3
InChIKeyUHERCFGYXDMDNA-UHFFFAOYSA-N
MW339.63 g/mol
LogP3.98
Rot. Bonds4

About trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate

trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate (PubChem CID 19421019) has the molecular formula C17H33NO2Si2 and a molecular weight of 339.63 g/mol. Its IUPAC name is trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate
PubChem CID19421019
Molecular FormulaC17H33NO2Si2
Molecular Weight339.63 g/mol
Exact Mass339.20
IUPAC Nametrimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate
SMILESC[Si](C)(C)NC1(C(=O)O[Si](C)(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H33NO2Si2/c1-21(2,3)18-17(16(19)20-22(4,5)6)14-8-12-7-13(10-14)11-15(17)9-12/h12-15,18H,7-11H2,1-6H3
InChIKeyUHERCFGYXDMDNA-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.63
LogP ≤ 53.98
H-Bond Donors ≤ 51
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 trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate?
The IUPAC name of trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate (CID 19421019) is trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate.
What is the SMILES notation for trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate?
The canonical SMILES for trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate is C[Si](C)(C)NC1(C(=O)O[Si](C)(C)C)C2CC3CC(C2)CC1C3.
What is the InChIKey of trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate?
The InChIKey is UHERCFGYXDMDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2Si2/c1-21(2,3)18-17(16(19)20-22(4,5)6)14-8-12-7-13(10-14)11-15(17)9-12/h12-15,18H,7-11H2,1-6H3.
What are the key properties of trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate?
trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate has a molecular weight of 339.63 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(trimethylsilylamino)adamantane-2-carboxylate is sourced from PubChem (CID 19421019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).