tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane

C17H29NOSi — CID 46177411

IUPACtert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1NCC[C@@H]1c1ccccc1
InChIInChI=1S/C17H29NOSi/c1-17(2,3)20(4,5)19-13-16-15(11-12-18-16)14-9-7-6-8-10-14/h6-10,15-16,18H,11-13H2,1-5H3/t15-,16-/m1/s1
InChIKeyFRHAAMRNNURNGP-HZPDHXFCSA-N
MW291.51 g/mol
LogP4.15
Rot. Bonds4

About tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane (PubChem CID 46177411) has the molecular formula C17H29NOSi and a molecular weight of 291.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane
PubChem CID46177411
Molecular FormulaC17H29NOSi
Molecular Weight291.51 g/mol
Exact Mass291.20
IUPAC Nametert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1NCC[C@@H]1c1ccccc1
InChIInChI=1S/C17H29NOSi/c1-17(2,3)20(4,5)19-13-16-15(11-12-18-16)14-9-7-6-8-10-14/h6-10,15-16,18H,11-13H2,1-5H3/t15-,16-/m1/s1
InChIKeyFRHAAMRNNURNGP-HZPDHXFCSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
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 tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane (CID 46177411) is tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@H]1NCC[C@@H]1c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane?
The InChIKey is FRHAAMRNNURNGP-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H29NOSi/c1-17(2,3)20(4,5)19-13-16-15(11-12-18-16)14-9-7-6-8-10-14/h6-10,15-16,18H,11-13H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane has a molecular weight of 291.51 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,3R)-3-phenylpyrrolidin-2-yl]methoxy]silane is sourced from PubChem (CID 46177411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).