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tert-butyl 3-(iodomethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 3-(iodomethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

CAS: 1250998-93-6

Formula: C14H24INO3

SMILES: CC(C)(C)OC(=O)N1CCC2(COC(CI)C2)CC1

IUPAC: tert-butyl 3-(iodomethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

InChI: InChI=1/C14H24INO3/c1-13(2,3)19-12(17)16-6-4-14(5-7-16)8-11(9-15)18-10-14/h11H,4-10H2,1-3H3

Composition: C (44.11%), H (6.35%), I (33.29%), N (3.67%), O (12.59%)

Molar Mass: 381.254

Atom Count: 43

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 381.08009
Formal Charge 0
FSP3 0.93
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey USSPBBSWVQVHKR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.05
Topological Polar Surface Area 38.77
Polarizability 32.71
Ring Count 2
Rotatable Bond Count 3

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