tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C18H33NO3Si — CID 139971872

IUPACtert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESC=CCC1(O[Si](C)(C)C)CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO3Si/c1-8-11-18(22-23(5,6)7)12-14-9-10-15(13-18)19(14)16(20)21-17(2,3)4/h8,14-15H,1,9-13H2,2-7H3
InChIKeyMWXJBSCUCYQZAM-UHFFFAOYSA-N
MW339.55 g/mol
LogP4.71
Rot. Bonds4

About tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 139971872) has the molecular formula C18H33NO3Si and a molecular weight of 339.55 g/mol. Its IUPAC name is tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID139971872
Molecular FormulaC18H33NO3Si
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC Nametert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESC=CCC1(O[Si](C)(C)C)CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C18H33NO3Si/c1-8-11-18(22-23(5,6)7)12-14-9-10-15(13-18)19(14)16(20)21-17(2,3)4/h8,14-15H,1,9-13H2,2-7H3
InChIKeyMWXJBSCUCYQZAM-UHFFFAOYSA-N
XLogP4.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 139971876
Tert-butyl 3-methyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 158241901
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
Ethyl 3-hydroxy-3-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 170986368
Tert-butyl 3-hex-5-enyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171952099
Tert-butyl 3-hydroxy-3-(1-trimethylsilylethenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171952270
Tert-butyl 3-hydroxy-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171952464
Tert-butyl 3-but-3-enyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171952630
Tert-butyl 3-hydroxy-3-pent-4-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171952874
Tert-butyl 3-dec-9-enyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171955868
Tert-butyl 3-hydroxy-3-oct-7-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171959571

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 139971872) is tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is C=CCC1(O[Si](C)(C)C)CC2CCC(C1)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is MWXJBSCUCYQZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3Si/c1-8-11-18(22-23(5,6)7)12-14-9-10-15(13-18)19(14)16(20)21-17(2,3)4/h8,14-15H,1,9-13H2,2-7H3.
What are the key properties of tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 339.55 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-prop-2-enyl-3-trimethylsilyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 139971872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).