tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

C15H27N3O2Si — CID 164762717

IUPACtert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C([Si](C)(C)C)N=N2)CC1
InChIInChI=1S/C15H27N3O2Si/c1-14(2,3)20-13(19)18-9-7-15(8-10-18)11-12(16-17-15)21(4,5)6/h11H,7-10H2,1-6H3
InChIKeyBOXSSZAPJDDOKD-UHFFFAOYSA-N
MW309.49 g/mol
LogP3.98
Rot. Bonds1

About tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate (PubChem CID 164762717) has the molecular formula C15H27N3O2Si and a molecular weight of 309.49 g/mol. Its IUPAC name is tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
PubChem CID164762717
Molecular FormulaC15H27N3O2Si
Molecular Weight309.49 g/mol
Exact Mass309.19
IUPAC Nametert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=C([Si](C)(C)C)N=N2)CC1
InChIInChI=1S/C15H27N3O2Si/c1-14(2,3)20-13(19)18-9-7-15(8-10-18)11-12(16-17-15)21(4,5)6/h11H,7-10H2,1-6H3
InChIKeyBOXSSZAPJDDOKD-UHFFFAOYSA-N
XLogP3.98
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 53.98
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 3-cyclopropyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 134950579
tert-butyl 3-(4-methoxyphenyl)-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate
CID 134950588
tert-butyl 4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 172575429
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 3-bromo-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
CID 91350918
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
4-(iodomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
CID 139270550
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate?
The IUPAC name of tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate (CID 164762717) is tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate.
What is the SMILES notation for tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate?
The canonical SMILES for tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=C([Si](C)(C)C)N=N2)CC1.
What is the InChIKey of tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate?
The InChIKey is BOXSSZAPJDDOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2Si/c1-14(2,3)20-13(19)18-9-7-15(8-10-18)11-12(16-17-15)21(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate?
tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate has a molecular weight of 309.49 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-trimethylsilyl-1,2,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate is sourced from PubChem (CID 164762717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).