tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

C21H42N2O3Si — CID 166071441

IUPACtert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCN2CCO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C21H42N2O3Si/c1-19(2,3)26-18(24)22-14-11-21(12-15-22)10-9-13-23(21)16-17-25-27(7,8)20(4,5)6/h9-17H2,1-8H3
InChIKeyPVPVZNPXVZXWJJ-UHFFFAOYSA-N
MW398.66 g/mol
LogP4.87
Rot. Bonds4

About tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 166071441) has the molecular formula C21H42N2O3Si and a molecular weight of 398.66 g/mol. Its IUPAC name is tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID166071441
Molecular FormulaC21H42N2O3Si
Molecular Weight398.66 g/mol
Exact Mass398.30
IUPAC Nametert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCCN2CCO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C21H42N2O3Si/c1-19(2,3)26-18(24)22-14-11-21(12-15-22)10-9-13-23(21)16-17-25-27(7,8)20(4,5)6/h9-17H2,1-8H3
InChIKeyPVPVZNPXVZXWJJ-UHFFFAOYSA-N
XLogP4.87
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.66
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 156832842
tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-methoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 175692291
tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxypiperidine-1-carboxylate;methane;2-(1-methoxycyclohexyl)ethanol
CID 158161836
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate
CID 58007307
1-O-tert-butyl 3-O-ethyl 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,3-dicarboxylate
CID 69438814
tert-butyl 2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 67500751
tert-butyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(3-methoxy-3-oxopropanoyl)pyrrolidine-1-carboxylate
CID 156726522
tert-butyl 6-methyl-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 167717811
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 1-methyl-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 90236843
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 166071441) is tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCCN2CCO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is PVPVZNPXVZXWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O3Si/c1-19(2,3)26-18(24)22-14-11-21(12-15-22)10-9-13-23(21)16-17-25-27(7,8)20(4,5)6/h9-17H2,1-8H3.
What are the key properties of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 398.66 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 166071441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).