tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane

C14H27NOSi — CID 175837358

IUPACtert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC1CCC2=CCCN21
InChIInChI=1S/C14H27NOSi/c1-14(2,3)17(4,5)16-11-13-9-8-12-7-6-10-15(12)13/h7,13H,6,8-11H2,1-5H3
InChIKeyVBZPXQWUFZQKHW-UHFFFAOYSA-N
MW253.46 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane

tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane (PubChem CID 175837358) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane
PubChem CID175837358
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Nametert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC1CCC2=CCCN21
InChIInChI=1S/C14H27NOSi/c1-14(2,3)17(4,5)16-11-13-9-8-12-7-6-10-15(12)13/h7,13H,6,8-11H2,1-5H3
InChIKeyVBZPXQWUFZQKHW-UHFFFAOYSA-N
XLogP3.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 53.76
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-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane (CID 175837358) is tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane is CC(C)(C)[Si](C)(C)OCC1CCC2=CCCN21.
What is the InChIKey of tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane?
The InChIKey is VBZPXQWUFZQKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-14(2,3)17(4,5)16-11-13-9-8-12-7-6-10-15(12)13/h7,13H,6,8-11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane?
tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane has a molecular weight of 253.46 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2,3,5,6-tetrahydro-1H-pyrrolizin-3-ylmethoxy)silane is sourced from PubChem (CID 175837358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).