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88036-43-5 | 5-Hepten-3-one, 4-(1,1-dimethylethyl)-2,2,6-trimethyl-
CAS No: 88036-43-5 Catalog No: AG004N1T MDL No:
Product Description
Catalog Number:
AG004N1T
Chemical Name:
5-Hepten-3-one, 4-(1,1-dimethylethyl)-2,2,6-trimethyl-
CAS Number:
88036-43-5
Molecular Formula:
C14H26O
Molecular Weight:
210.3556
IUPAC Name:
4-tert-butyl-2,2,6-trimethylhept-5-en-3-one
InChI:
InChI=1S/C14H26O/c1-10(2)9-11(13(3,4)5)12(15)14(6,7)8/h9,11H,1-8H3
InChI Key:
FNGSPMZWSBICMI-UHFFFAOYSA-N
SMILES:
CC(=CC(C(C)(C)C)C(=O)C(C)(C)C)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.198g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.361g/mol
Monoisotopic Mass:
210.198g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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