tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

CAS: 900503-08-4

Formula: C18H30BNO4

SMILES: CC(C)(C)OC(=O)N1C2CCC1C=C(C2)B1OC(C)(C)C(C)(C)O1

IUPAC: tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

InChI: InChI=1/C18H30BNO4/c1-16(2,3)22-15(21)20-13-8-9-14(20)11-12(10-13)19-23-17(4,5)18(6,7)24-19/h10,13-14H,8-9,11H2,1-7H3

Composition: C (64.49%), H (9.02%), B (3.22%), N (4.18%), O (19.09%)

Molar Mass: 335.25

Atom Count: 54

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	335.226788
Formal Charge	0
FSP3	0.83
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JNHGCLCLMOCPCQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.24
Topological Polar Surface Area	48
Polarizability	36.73
Ring Count	3
Rotatable Bond Count	3

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