tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate

C20H37NO4Si — CID 174050124

IUPACtert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC(O[Si](C)(C)C(C)(C)C)C2)CC1C=O
InChIInChI=1S/C20H37NO4Si/c1-18(2,3)24-17(23)21-10-9-20(11-15(21)14-22)12-16(13-20)25-26(7,8)19(4,5)6/h14-16H,9-13H2,1-8H3
InChIKeyUAWBQWBSFBRKHG-UHFFFAOYSA-N
MW383.61 g/mol
LogP4.76
Rot. Bonds3

About tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 174050124) has the molecular formula C20H37NO4Si and a molecular weight of 383.61 g/mol. Its IUPAC name is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID174050124
Molecular FormulaC20H37NO4Si
Molecular Weight383.61 g/mol
Exact Mass383.25
IUPAC Nametert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC(O[Si](C)(C)C(C)(C)C)C2)CC1C=O
InChIInChI=1S/C20H37NO4Si/c1-18(2,3)24-17(23)21-10-9-20(11-15(21)14-22)12-16(13-20)25-26(7,8)19(4,5)6/h14-16H,9-13H2,1-8H3
InChIKeyUAWBQWBSFBRKHG-UHFFFAOYSA-N
XLogP4.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 170939046
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpiperidine-1-carboxylate
CID 174195504
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
tert-butyl (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-3-hydroxyprop-1-enyl]piperidine-1-carboxylate
CID 11111484
tert-butyl 2-formyl-6-methyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 23565394
tert-butyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 16732142
tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate
CID 163207408
tert-butyl (2S)-4,4-dichloro-2-formylpyrrolidine-1-carboxylate
CID 141300395
ditert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1,2-dicarboxylate
CID 101367108
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170939015
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl (2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methylpiperidine-1-carboxylate
CID 170726765

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate (CID 174050124) is tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC(O[Si](C)(C)C(C)(C)C)C2)CC1C=O.
What is the InChIKey of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is UAWBQWBSFBRKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4Si/c1-18(2,3)24-17(23)21-10-9-20(11-15(21)14-22)12-16(13-20)25-26(7,8)19(4,5)6/h14-16H,9-13H2,1-8H3.
What are the key properties of tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 383.61 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 174050124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).