(6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one

C20H39NO2Si — CID 132606609

IUPAC(6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one
SMILESCCCC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]12CCCC(=O)N2
InChIInChI=1S/C20H39NO2Si/c1-7-8-11-16-17(23-24(5,6)19(2,3)4)12-9-14-20(16)15-10-13-18(22)21-20/h16-17H,7-15H2,1-6H3,(H,21,22)/t16-,17+,20-/m1/s1
InChIKeyGNZNDQJUAYPVNE-FUHIMQAGSA-N
MW353.62 g/mol
LogP5.41
Rot. Bonds5

About (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one

(6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one (PubChem CID 132606609) has the molecular formula C20H39NO2Si and a molecular weight of 353.62 g/mol. Its IUPAC name is (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one
PubChem CID132606609
Molecular FormulaC20H39NO2Si
Molecular Weight353.62 g/mol
Exact Mass353.28
IUPAC Name(6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one
SMILESCCCC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]12CCCC(=O)N2
InChIInChI=1S/C20H39NO2Si/c1-7-8-11-16-17(23-24(5,6)19(2,3)4)12-9-14-20(16)15-10-13-18(22)21-20/h16-17H,7-15H2,1-6H3,(H,21,22)/t16-,17+,20-/m1/s1
InChIKeyGNZNDQJUAYPVNE-FUHIMQAGSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.62
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,3R,6S)-2-butylspiro[7-oxabicyclo[4.1.0]heptane-3,6'-piperidine]-2'-one
CID 11207129
(R)-N-[(1R,2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohexyl]-2-methylpropane-2-sulfinamide
CID 134845804
(R)-N-[(1S,2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethynyl)cyclohexyl]-2-methylpropane-2-sulfinamide
CID 134845933
(1R,2S,3S)-1'-benzyl-2-butyl-3-[tert-butyl(dimethyl)silyl]oxy-7'-methylspiro[cyclohexane-1,2'-pyrano[4,3-b]pyridine]-5'-one
CID 102271875
(NE)-N-[(2R,3R)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexylidene]hydroxylamine
CID 25178808
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]nonan-4-one
CID 10445764
6-butyl-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpiperidin-2-one
CID 67622098
tert-butyl-(6-butyl-4-methylpiperidin-3-yl)oxy-dimethylsilane
CID 154447813
2-ethyl-4-azaspiro[2.5]octan-5-one
CID 11491966
[(1Z,3aR,4S,7aS)-1-ethylidene-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11000905
4-[tert-butyl(dimethyl)silyl]oxyspiro[4.5]decan-8-one
CID 90036942

Frequently Asked Questions

What is the IUPAC name of (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one?
The IUPAC name of (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one (CID 132606609) is (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one.
What is the SMILES notation for (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one?
The canonical SMILES for (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one is CCCC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]12CCCC(=O)N2.
What is the InChIKey of (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one?
The InChIKey is GNZNDQJUAYPVNE-FUHIMQAGSA-N. The full InChI is InChI=1S/C20H39NO2Si/c1-7-8-11-16-17(23-24(5,6)19(2,3)4)12-9-14-20(16)15-10-13-18(22)21-20/h16-17H,7-15H2,1-6H3,(H,21,22)/t16-,17+,20-/m1/s1.
What are the key properties of (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one?
(6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one has a molecular weight of 353.62 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10S,11S)-11-butyl-10-[tert-butyl(dimethyl)silyl]oxy-1-azaspiro[5.5]undecan-2-one is sourced from PubChem (CID 132606609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).