tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate

C19H38N2O3Si — CID 156832842

IUPACtert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(CCO[Si](C)(C)C(C)(C)C)C2)C1
InChIInChI=1S/C19H38N2O3Si/c1-17(2,3)24-16(22)21-14-19(15-21)9-10-20(13-19)11-12-23-25(7,8)18(4,5)6/h9-15H2,1-8H3
InChIKeyKGXJYYIXEJAPLZ-UHFFFAOYSA-N
MW370.61 g/mol
LogP3.95
Rot. Bonds4

About tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate

tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 156832842) has the molecular formula C19H38N2O3Si and a molecular weight of 370.61 g/mol. Its IUPAC name is tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
PubChem CID156832842
Molecular FormulaC19H38N2O3Si
Molecular Weight370.61 g/mol
Exact Mass370.27
IUPAC Nametert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(CCO[Si](C)(C)C(C)(C)C)C2)C1
InChIInChI=1S/C19H38N2O3Si/c1-17(2,3)24-16(22)21-14-19(15-21)9-10-20(13-19)11-12-23-25(7,8)18(4,5)6/h9-15H2,1-8H3
InChIKeyKGXJYYIXEJAPLZ-UHFFFAOYSA-N
XLogP3.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 166071441
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
(2R,3R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-azaspiro[4.5]decane-2,3-diol
CID 171548487
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate
CID 58007307
tert-butyl 2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 67500751
tert-butyl 7-(2-chloroacetyl)-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 172876279
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
tert-butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-methoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 175692291
1-O-tert-butyl 3-O-ethyl 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidine-1,3-dicarboxylate
CID 69438814
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[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172586842

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate (CID 156832842) is tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCN(CCO[Si](C)(C)C(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate?
The InChIKey is KGXJYYIXEJAPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O3Si/c1-17(2,3)24-16(22)21-14-19(15-21)9-10-20(13-19)11-12-23-25(7,8)18(4,5)6/h9-15H2,1-8H3.
What are the key properties of tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate?
tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 370.61 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 156832842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).