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88036-45-7 | 5-Hepten-3-one, 4-(1,1-dimethylethyl)-2,2,4,6-tetramethyl-
CAS No: 88036-45-7 Catalog No: AG004J7A MDL No:
Product Description
Catalog Number:
AG004J7A
Chemical Name:
5-Hepten-3-one, 4-(1,1-dimethylethyl)-2,2,4,6-tetramethyl-
CAS Number:
88036-45-7
Molecular Formula:
C15H28O
Molecular Weight:
224.3822
IUPAC Name:
4-tert-butyl-2,2,4,6-tetramethylhept-5-en-3-one
InChI:
InChI=1S/C15H28O/c1-11(2)10-15(9,14(6,7)8)12(16)13(3,4)5/h10H,1-9H3
InChI Key:
NMYXSIMCAMYEED-UHFFFAOYSA-N
SMILES:
CC(=CC(C(C)(C)C)(C(=O)C(C)(C)C)C)C
Properties
Complexity:
292
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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