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89272-40-2 | 5-Octen-3-one, 6-(1,1-dimethylethyl)-5,7,7-trimethyl-
CAS No: 89272-40-2 Catalog No: AG0041BS MDL No:
Product Description
Catalog Number:
AG0041BS
Chemical Name:
5-Octen-3-one, 6-(1,1-dimethylethyl)-5,7,7-trimethyl-
CAS Number:
89272-40-2
Molecular Formula:
C15H28O
Molecular Weight:
224.3822
IUPAC Name:
6-tert-butyl-5,7,7-trimethyloct-5-en-3-one
InChI:
InChI=1S/C15H28O/c1-9-12(16)10-11(2)13(14(3,4)5)15(6,7)8/h9-10H2,1-8H3
InChI Key:
YTEZTMFEMPTSCA-UHFFFAOYSA-N
SMILES:
CCC(=O)CC(=C(C(C)(C)C)C(C)(C)C)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.214g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.388g/mol
Monoisotopic Mass:
224.214g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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