(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate

C19H29NO3Si — CID 91712369

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate
SMILESCN1C2CCC1CC(OC(=O)C(O[Si](C)(C)C)c1ccccc1)C2
InChIInChI=1S/C19H29NO3Si/c1-20-15-10-11-16(20)13-17(12-15)22-19(21)18(23-24(2,3)4)14-8-6-5-7-9-14/h5-9,15-18H,10-13H2,1-4H3
InChIKeyHQRZWPKEPSHAQX-UHFFFAOYSA-N
MW347.53 g/mol
LogP3.75
Rot. Bonds5

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate (PubChem CID 91712369) has the molecular formula C19H29NO3Si and a molecular weight of 347.53 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate
PubChem CID91712369
Molecular FormulaC19H29NO3Si
Molecular Weight347.53 g/mol
Exact Mass347.19
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate
SMILESCN1C2CCC1CC(OC(=O)C(O[Si](C)(C)C)c1ccccc1)C2
InChIInChI=1S/C19H29NO3Si/c1-20-15-10-11-16(20)13-17(12-15)22-19(21)18(23-24(2,3)4)14-8-6-5-7-9-14/h5-9,15-18H,10-13H2,1-4H3
InChIKeyHQRZWPKEPSHAQX-UHFFFAOYSA-N
XLogP3.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate (CID 91712369) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate is CN1C2CCC1CC(OC(=O)C(O[Si](C)(C)C)c1ccccc1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate?
The InChIKey is HQRZWPKEPSHAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3Si/c1-20-15-10-11-16(20)13-17(12-15)22-19(21)18(23-24(2,3)4)14-8-6-5-7-9-14/h5-9,15-18H,10-13H2,1-4H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate has a molecular weight of 347.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenyl-2-trimethylsilyloxyacetate is sourced from PubChem (CID 91712369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).