N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide

C15H26F3NO4Si — CID 101216486

IUPACN-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C[C@@H](CO)[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C15H26F3NO4Si/c1-14(2,3)24(4,5)23-11-7-10(21)6-9(8-20)12(11)19-13(22)15(16,17)18/h9,11-12,20H,6-8H2,1-5H3,(H,19,22)/t9-,11+,12+/m0/s1
InChIKeyRQADYVLQIPEOGA-MVWJERBFSA-N
MW369.46 g/mol
LogP2.40
Rot. Bonds4

About N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide

N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide (PubChem CID 101216486) has the molecular formula C15H26F3NO4Si and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide
PubChem CID101216486
Molecular FormulaC15H26F3NO4Si
Molecular Weight369.46 g/mol
Exact Mass369.16
IUPAC NameN-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C[C@@H](CO)[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C15H26F3NO4Si/c1-14(2,3)24(4,5)23-11-7-10(21)6-9(8-20)12(11)19-13(22)15(16,17)18/h9,11-12,20H,6-8H2,1-5H3,(H,19,22)/t9-,11+,12+/m0/s1
InChIKeyRQADYVLQIPEOGA-MVWJERBFSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
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 N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide (CID 101216486) is N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide is CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C[C@@H](CO)[C@H]1NC(=O)C(F)(F)F.
What is the InChIKey of N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide?
The InChIKey is RQADYVLQIPEOGA-MVWJERBFSA-N. The full InChI is InChI=1S/C15H26F3NO4Si/c1-14(2,3)24(4,5)23-11-7-10(21)6-9(8-20)12(11)19-13(22)15(16,17)18/h9,11-12,20H,6-8H2,1-5H3,(H,19,22)/t9-,11+,12+/m0/s1.
What are the key properties of N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide?
N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide has a molecular weight of 369.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6R)-2-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-4-oxocyclohexyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 101216486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).