Home Carboxys tert-butyl 1-(iodomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 1-(iodomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate

CAS No.:
2138294-99-0
Catalog Number:
AG01ELYA
Molecular Formula:
C14H22INO4
Molecular Weight:
395.2332
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Product Description
Catalog Number:
AG01ELYA
Chemical Name:
tert-butyl 1-(iodomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CAS Number:
2138294-99-0
Molecular Formula:
C14H22INO4
Molecular Weight:
395.2332
MDL Number:
MFCD31435000
IUPAC Name:
tert-butyl 1-(iodomethyl)-3-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C14H22INO4/c1-13(2,3)20-12(18)16-6-4-14(5-7-16)8-11(17)19-10(14)9-15/h10H,4-9H2,1-3H3
InChI Key:
UBSZWEPBBFKRFB-UHFFFAOYSA-N
SMILES:
ICC1OC(=O)CC21CCN(CC2)C(=O)OC(C)(C)C
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.059g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.237g/mol
Monoisotopic Mass:
395.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties