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89434-25-3 | 6-Octen-2-one, 1-(dibutylamino)-3,7-dimethyl-
CAS No: 89434-25-3 Catalog No: AG0044QD MDL No:
Product Description
Catalog Number:
AG0044QD
Chemical Name:
6-Octen-2-one, 1-(dibutylamino)-3,7-dimethyl-
CAS Number:
89434-25-3
Molecular Formula:
C18H35NO
Molecular Weight:
281.4766
IUPAC Name:
1-(dibutylamino)-3,7-dimethyloct-6-en-2-one
InChI:
InChI=1S/C18H35NO/c1-6-8-13-19(14-9-7-2)15-18(20)17(5)12-10-11-16(3)4/h11,17H,6-10,12-15H2,1-5H3
InChI Key:
XBRXNCKWSIJVAU-UHFFFAOYSA-N
SMILES:
CCCCN(CC(=O)C(CCC=C(C)C)C)CCCC
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.272g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.484g/mol
Monoisotopic Mass:
281.272g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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