tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C17H31NO3Si — CID 171952270

IUPACtert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESC=C(C1(O)CC2CCC(C1)N2C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H31NO3Si/c1-12(22(5,6)7)17(20)10-13-8-9-14(11-17)18(13)15(19)21-16(2,3)4/h13-14,20H,1,8-11H2,2-7H3
InChIKeyPXGUZCQMXYIWEP-UHFFFAOYSA-N
MW325.53 g/mol
LogP3.71
Rot. Bonds2

About tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171952270) has the molecular formula C17H31NO3Si and a molecular weight of 325.53 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID171952270
Molecular FormulaC17H31NO3Si
Molecular Weight325.53 g/mol
Exact Mass325.21
IUPAC Nametert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESC=C(C1(O)CC2CCC(C1)N2C(=O)OC(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H31NO3Si/c1-12(22(5,6)7)17(20)10-13-8-9-14(11-17)18(13)15(19)21-16(2,3)4/h13-14,20H,1,8-11H2,2-7H3
InChIKeyPXGUZCQMXYIWEP-UHFFFAOYSA-N
XLogP3.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-3-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 154710197
Tert-butyl 3-hydroxy-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171952295
Tert-butyl 3-hydroxy-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171964327
Tert-butyl 3-ethenyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121344150
tert-butyl (1S,5R)-3-ethenyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121344152
Tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 139971872
Tert-butyl 3-hydroxy-3-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 139971876
Tert-butyl 3-hydroxy-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 163609162
ethyl (1S,5R)-3-hydroxy-3-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 44471822
Tert-butyl 3-hex-5-enyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171952099
8-Methyl-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952269
Tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171952281

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171952270) is tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is C=C(C1(O)CC2CCC(C1)N2C(=O)OC(C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is PXGUZCQMXYIWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3Si/c1-12(22(5,6)7)17(20)10-13-8-9-14(11-17)18(13)15(19)21-16(2,3)4/h13-14,20H,1,8-11H2,2-7H3.
What are the key properties of tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 325.53 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171952270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).