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85890-69-3 | 2-Cyclohexen-1-one, 3-(3,5-dimethyl-1-piperidinyl)-5,5-dimethyl-
CAS No: 85890-69-3 Catalog No: AG004NHY MDL No:
Product Description
Catalog Number:
AG004NHY
Chemical Name:
2-Cyclohexen-1-one, 3-(3,5-dimethyl-1-piperidinyl)-5,5-dimethyl-
CAS Number:
85890-69-3
Molecular Formula:
C15H25NO
Molecular Weight:
235.3651
IUPAC Name:
3-(3,5-dimethylpiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C15H25NO/c1-11-5-12(2)10-16(9-11)13-6-14(17)8-15(3,4)7-13/h6,11-12H,5,7-10H2,1-4H3
InChI Key:
PWBUTUSHVRFOSO-UHFFFAOYSA-N
SMILES:
CC1CC(C)CN(C1)C1=CC(=O)CC(C1)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.194g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.371g/mol
Monoisotopic Mass:
235.194g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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