tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane

C18H27NOSi — CID 10990281

IUPACtert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane
SMILESC[C@H](c1ccccc1)n1cccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27NOSi/c1-15(16-11-8-7-9-12-16)19-14-10-13-17(19)20-21(5,6)18(2,3)4/h7-15H,1-6H3/t15-/m1/s1
InChIKeyZLJJOSLZCQUOON-OAHLLOKOSA-N
MW301.51 g/mol
LogP5.48
Rot. Bonds4

About tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane

tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane (PubChem CID 10990281) has the molecular formula C18H27NOSi and a molecular weight of 301.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane
PubChem CID10990281
Molecular FormulaC18H27NOSi
Molecular Weight301.51 g/mol
Exact Mass301.19
IUPAC Nametert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane
SMILESC[C@H](c1ccccc1)n1cccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H27NOSi/c1-15(16-11-8-7-9-12-16)19-14-10-13-17(19)20-21(5,6)18(2,3)4/h7-15H,1-6H3/t15-/m1/s1
InChIKeyZLJJOSLZCQUOON-OAHLLOKOSA-N
XLogP5.48
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.51
LogP ≤ 55.48
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 tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane (CID 10990281) is tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane is C[C@H](c1ccccc1)n1cccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane?
The InChIKey is ZLJJOSLZCQUOON-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27NOSi/c1-15(16-11-8-7-9-12-16)19-14-10-13-17(19)20-21(5,6)18(2,3)4/h7-15H,1-6H3/t15-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane?
tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane has a molecular weight of 301.51 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-[(1R)-1-phenylethyl]pyrrol-2-yl]oxysilane is sourced from PubChem (CID 10990281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).