tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate

C12H23NO2Si — CID 131482119

IUPACtert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate
SMILESCC(C)(C)OC(=O)C1C[Si]2(CCCC2)CN1
InChIInChI=1S/C12H23NO2Si/c1-12(2,3)15-11(14)10-8-16(9-13-10)6-4-5-7-16/h10,13H,4-9H2,1-3H3
InChIKeyZDEXIQVWWSXHHF-UHFFFAOYSA-N
MW241.41 g/mol
LogP2.08
Rot. Bonds1

About tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate

tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate (PubChem CID 131482119) has the molecular formula C12H23NO2Si and a molecular weight of 241.41 g/mol. Its IUPAC name is tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate
PubChem CID131482119
Molecular FormulaC12H23NO2Si
Molecular Weight241.41 g/mol
Exact Mass241.15
IUPAC Nametert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate
SMILESCC(C)(C)OC(=O)C1C[Si]2(CCCC2)CN1
InChIInChI=1S/C12H23NO2Si/c1-12(2,3)15-11(14)10-8-16(9-13-10)6-4-5-7-16/h10,13H,4-9H2,1-3H3
InChIKeyZDEXIQVWWSXHHF-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate;hydrochloride
CID 155970494
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
tert-butyl (2S)-4-methoxypyrrolidine-2-carboxylate
CID 54187646
tert-butyl (2R)-azetidine-2-carboxylate;hydrochloride
CID 146049865
ditert-butyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
CID 15283651
tert-butyl 4-cyanopyrrolidine-2-carboxylate
CID 131739554
tert-butyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 171397238
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 164886554
tert-butyl (5R)-4,5-dimethylpyrrolidine-2-carboxylate
CID 171795451
5-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 67042420
tert-butyl (2S,4S)-4-hydroxypiperidine-2-carboxylate
CID 96845258
2-O-tert-butyl 4-O-methyl pyrrolidine-2,4-dicarboxylate
CID 73094768

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate?
The IUPAC name of tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate (CID 131482119) is tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate.
What is the SMILES notation for tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate?
The canonical SMILES for tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate is CC(C)(C)OC(=O)C1C[Si]2(CCCC2)CN1.
What is the InChIKey of tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate?
The InChIKey is ZDEXIQVWWSXHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2Si/c1-12(2,3)15-11(14)10-8-16(9-13-10)6-4-5-7-16/h10,13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate?
tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate has a molecular weight of 241.41 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-aza-5-silaspiro[4.4]nonane-3-carboxylate is sourced from PubChem (CID 131482119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).