tert-butyl 1,5-diazocane-1-carboxylate

tert-butyl 1,5-diazocane-1-carboxylate

CAS: 223797-64-6

Formula: C11H22N2O2

SMILES: CC(C)(C)OC(=O)N1CCCNCCC1

IUPAC: tert-butyl 1,5-diazocane-1-carboxylate

InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-6-12-7-5-9-13/h12H,4-9H2,1-3H3

Composition: C (61.65%), H (10.35%), N (13.07%), O (14.93%)

Molar Mass: 214.309

Atom Count: 37

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	214.168127956
Formal Charge	0
FSP3	0.91
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZRKUMLHCFYSTGC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.17
Topological Polar Surface Area	41.57
Polarizability	23.69
Ring Count	1
Rotatable Bond Count	2

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