tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane

C12H25NOSi — CID 141430837

IUPACtert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1CNC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NOSi/c1-7-10-8-13-9-11(10)14-15(5,6)12(2,3)4/h7,10-11,13H,1,8-9H2,2-6H3/t10-,11-/m1/s1
InChIKeyJHJVXMMCPBJGMY-GHMZBOCLSA-N
MW227.42 g/mol
LogP2.78
Rot. Bonds3

About tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane (PubChem CID 141430837) has the molecular formula C12H25NOSi and a molecular weight of 227.42 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane
PubChem CID141430837
Molecular FormulaC12H25NOSi
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Nametert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H]1CNC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NOSi/c1-7-10-8-13-9-11(10)14-15(5,6)12(2,3)4/h7,10-11,13H,1,8-9H2,2-6H3/t10-,11-/m1/s1
InChIKeyJHJVXMMCPBJGMY-GHMZBOCLSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane (CID 141430837) is tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane is C=C[C@@H]1CNC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane?
The InChIKey is JHJVXMMCPBJGMY-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H25NOSi/c1-7-10-8-13-9-11(10)14-15(5,6)12(2,3)4/h7,10-11,13H,1,8-9H2,2-6H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane has a molecular weight of 227.42 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-4-ethenylpyrrolidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 141430837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).