tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane

C25H35NOSi — CID 164521320

IUPACtert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane
SMILESCC1CN2CCCC2(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C25H35NOSi/c1-21-18-25(16-11-17-26(25)19-21)20-27-28(24(2,3)4,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,21H,11,16-20H2,1-4H3
InChIKeyUZKHDIMWHZLQNU-UHFFFAOYSA-N
MW393.65 g/mol
LogP4.44
Rot. Bonds5

About tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane

tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane (PubChem CID 164521320) has the molecular formula C25H35NOSi and a molecular weight of 393.65 g/mol. Its IUPAC name is tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane
PubChem CID164521320
Molecular FormulaC25H35NOSi
Molecular Weight393.65 g/mol
Exact Mass393.25
IUPAC Nametert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane
SMILESCC1CN2CCCC2(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C25H35NOSi/c1-21-18-25(16-11-17-26(25)19-21)20-27-28(24(2,3)4,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,21H,11,16-20H2,1-4H3
InChIKeyUZKHDIMWHZLQNU-UHFFFAOYSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.65
LogP ≤ 54.44
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-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane (CID 164521320) is tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane is CC1CN2CCCC2(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane?
The InChIKey is UZKHDIMWHZLQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NOSi/c1-21-18-25(16-11-17-26(25)19-21)20-27-28(24(2,3)4,22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-10,12-15,21H,11,16-20H2,1-4H3.
What are the key properties of tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane?
tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane has a molecular weight of 393.65 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]-diphenylsilane is sourced from PubChem (CID 164521320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).