(1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one

C20H31NO2Si — CID 134942888

IUPAC(1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@]12C(=O)N[C@@H]2c1ccccc1
InChIInChI=1S/C20H31NO2Si/c1-19(2,3)24(4,5)23-16-13-9-10-14-20(16)17(21-18(20)22)15-11-7-6-8-12-15/h6-8,11-12,16-17H,9-10,13-14H2,1-5H3,(H,21,22)/t16-,17-,20-/m1/s1
InChIKeyLLKMSFWAFCHOGJ-MBOZVWFJSA-N
MW345.56 g/mol
LogP4.81
Rot. Bonds3

About (1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one

(1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one (PubChem CID 134942888) has the molecular formula C20H31NO2Si and a molecular weight of 345.56 g/mol. Its IUPAC name is (1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name(1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one
PubChem CID134942888
Molecular FormulaC20H31NO2Si
Molecular Weight345.56 g/mol
Exact Mass345.21
IUPAC Name(1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@]12C(=O)N[C@@H]2c1ccccc1
InChIInChI=1S/C20H31NO2Si/c1-19(2,3)24(4,5)23-16-13-9-10-14-20(16)17(21-18(20)22)15-11-7-6-8-12-15/h6-8,11-12,16-17H,9-10,13-14H2,1-5H3,(H,21,22)/t16-,17-,20-/m1/s1
InChIKeyLLKMSFWAFCHOGJ-MBOZVWFJSA-N
XLogP4.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.56
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of (1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one (CID 134942888) is (1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for (1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for (1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@]12C(=O)N[C@@H]2c1ccccc1.
What is the InChIKey of (1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is LLKMSFWAFCHOGJ-MBOZVWFJSA-N. The full InChI is InChI=1S/C20H31NO2Si/c1-19(2,3)24(4,5)23-16-13-9-10-14-20(16)17(21-18(20)22)15-11-7-6-8-12-15/h6-8,11-12,16-17H,9-10,13-14H2,1-5H3,(H,21,22)/t16-,17-,20-/m1/s1.
What are the key properties of (1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one?
(1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 345.56 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 134942888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).