tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate

C27H53NO3Si — CID 134852793

IUPACtert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate
SMILESCCCC[C@H](CCC1CCCCC12CCCN2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H53NO3Si/c1-10-11-16-23(31-32(8,9)26(5,6)7)18-17-22-15-12-13-19-27(22)20-14-21-28(27)24(29)30-25(2,3)4/h22-23H,10-21H2,1-9H3/t22?,23-,27?/m1/s1
InChIKeyKGKCMPIDZNGPDX-ZOCBXBDSSA-N
MW467.81 g/mol
LogP8.31
Rot. Bonds8

About tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate

tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate (PubChem CID 134852793) has the molecular formula C27H53NO3Si and a molecular weight of 467.81 g/mol. Its IUPAC name is tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate
PubChem CID134852793
Molecular FormulaC27H53NO3Si
Molecular Weight467.81 g/mol
Exact Mass467.38
IUPAC Nametert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate
SMILESCCCC[C@H](CCC1CCCCC12CCCN2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H53NO3Si/c1-10-11-16-23(31-32(8,9)26(5,6)7)18-17-22-15-12-13-19-27(22)20-14-21-28(27)24(29)30-25(2,3)4/h22-23H,10-21H2,1-9H3/t22?,23-,27?/m1/s1
InChIKeyKGKCMPIDZNGPDX-ZOCBXBDSSA-N
XLogP8.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.81
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (5S,6S)-6-[(3S)-3-hydroxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate
CID 139114533
tert-butyl (1S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 67518727
Tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4-methoxycyclohexyl)methyl]-2-methylpyrrolidine-1-carboxylate
CID 171782660
tert-butyl (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4-methoxycyclohexyl)methyl]-2-methylpyrrolidine-1-carboxylate
CID 175882480
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethyl)-2-(3-methylbutyl)pyrrolidine-1-carboxylate
CID 11281466
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-[(1R,2S)-1-cyano-2-[(3S)-3-tri(propan-2-yl)silyloxyheptyl]cyclohexyl]carbamate
CID 46894317
tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate
CID 46894319
tert-butyl (5S,6S)-2-(acetyloxymethyl)-6-[(3S)-3-tri(propan-2-yl)silyloxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate
CID 57381814
tert-butyl (5S,6S)-2-(hydroxymethyl)-6-[(3S)-3-tri(propan-2-yl)silyloxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate
CID 57382031
tert-butyl (5S,6S)-6-[(3S)-3-hydroxynonyl]-1-azaspiro[4.5]decane-1-carboxylate
CID 57382033
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-[(1R,2S)-1-cyano-2-[(3S)-3-tri(propan-2-yl)silyloxynonyl]cyclohexyl]carbamate
CID 57382035
tert-butyl (5S,6S)-6-[(3S)-3-tri(propan-2-yl)silyloxynonyl]-1-azaspiro[4.5]decane-1-carboxylate
CID 57382252

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate?
The IUPAC name of tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate (CID 134852793) is tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate is CCCC[C@H](CCC1CCCCC12CCCN2C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate?
The InChIKey is KGKCMPIDZNGPDX-ZOCBXBDSSA-N. The full InChI is InChI=1S/C27H53NO3Si/c1-10-11-16-23(31-32(8,9)26(5,6)7)18-17-22-15-12-13-19-27(22)20-14-21-28(27)24(29)30-25(2,3)4/h22-23H,10-21H2,1-9H3/t22?,23-,27?/m1/s1.
What are the key properties of tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate?
tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 467.81 g/mol, XLogP of 8.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxyheptyl]-1-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 134852793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).