(1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one

C17H31NO6Si — CID 24766097

IUPAC(1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one
SMILESCN1C(=O)O[C@@H]2CO[C@@H]3C[C@@](CO)(CO[Si](C)(C)C(C)(C)C)O[C@@H]3[C@@H]21
InChIInChI=1S/C17H31NO6Si/c1-16(2,3)25(5,6)22-10-17(9-19)7-11-14(24-17)13-12(8-21-11)23-15(20)18(13)4/h11-14,19H,7-10H2,1-6H3/t11-,12-,13-,14+,17-/m1/s1
InChIKeyOAGGVSGXQIALLG-MNLSVMLLSA-N
MW373.52 g/mol
LogP1.75
Rot. Bonds4

About (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one

(1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one (PubChem CID 24766097) has the molecular formula C17H31NO6Si and a molecular weight of 373.52 g/mol. Its IUPAC name is (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one.

Molecular Properties

Compound Name(1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one
PubChem CID24766097
Molecular FormulaC17H31NO6Si
Molecular Weight373.52 g/mol
Exact Mass373.19
IUPAC Name(1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one
SMILESCN1C(=O)O[C@@H]2CO[C@@H]3C[C@@](CO)(CO[Si](C)(C)C(C)(C)C)O[C@@H]3[C@@H]21
InChIInChI=1S/C17H31NO6Si/c1-16(2,3)25(5,6)22-10-17(9-19)7-11-14(24-17)13-12(8-21-11)23-15(20)18(13)4/h11-14,19H,7-10H2,1-6H3/t11-,12-,13-,14+,17-/m1/s1
InChIKeyOAGGVSGXQIALLG-MNLSVMLLSA-N
XLogP1.75
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one with MolForge

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Related Compounds

(1R,2R,6S,9R)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one
CID 10911341
(1R,2R,6S,9R,11S)-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one
CID 11458847
tert-butyl (4S)-4-[[(2R,3aR,6R,7R,7aR)-6-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59053174

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one?
The IUPAC name of (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one (CID 24766097) is (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one.
What is the SMILES notation for (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one?
The canonical SMILES for (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one is CN1C(=O)O[C@@H]2CO[C@@H]3C[C@@](CO)(CO[Si](C)(C)C(C)(C)C)O[C@@H]3[C@@H]21.
What is the InChIKey of (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one?
The InChIKey is OAGGVSGXQIALLG-MNLSVMLLSA-N. The full InChI is InChI=1S/C17H31NO6Si/c1-16(2,3)25(5,6)22-10-17(9-19)7-11-14(24-17)13-12(8-21-11)23-15(20)18(13)4/h11-14,19H,7-10H2,1-6H3/t11-,12-,13-,14+,17-/m1/s1.
What are the key properties of (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one?
(1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one has a molecular weight of 373.52 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,9R,11R)-11-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-(hydroxymethyl)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecan-4-one is sourced from PubChem (CID 24766097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).