[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane

C20H33NOSi — CID 131749610

IUPAC[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC2(CC2)N1Cc1ccccc1
InChIInChI=1S/C20H33NOSi/c1-19(2,3)23(4,5)22-16-18-11-12-20(13-14-20)21(18)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3/t18-/m0/s1
InChIKeyGOFNDOOAMPDGTD-SFHVURJKSA-N
MW331.58 g/mol
LogP5.21
Rot. Bonds5

About [(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane

[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 131749610) has the molecular formula C20H33NOSi and a molecular weight of 331.58 g/mol. Its IUPAC name is [(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID131749610
Molecular FormulaC20H33NOSi
Molecular Weight331.58 g/mol
Exact Mass331.23
IUPAC Name[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCC2(CC2)N1Cc1ccccc1
InChIInChI=1S/C20H33NOSi/c1-19(2,3)23(4,5)22-16-18-11-12-20(13-14-20)21(18)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3/t18-/m0/s1
InChIKeyGOFNDOOAMPDGTD-SFHVURJKSA-N
XLogP5.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.58
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane (CID 131749610) is [(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H]1CCC2(CC2)N1Cc1ccccc1.
What is the InChIKey of [(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is GOFNDOOAMPDGTD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33NOSi/c1-19(2,3)23(4,5)22-16-18-11-12-20(13-14-20)21(18)15-17-9-7-6-8-10-17/h6-10,18H,11-16H2,1-5H3/t18-/m0/s1.
What are the key properties of [(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane?
[(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 331.58 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-4-benzyl-4-azaspiro[2.4]heptan-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 131749610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).