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16556-52-8 | Ethanone, 1-(4-butoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-
CAS No: 16556-52-8 Catalog No: AG001W7U MDL No:
Product Description
Catalog Number:
AG001W7U
Chemical Name:
Ethanone, 1-(4-butoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-
CAS Number:
16556-52-8
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
1-(4-butoxy-2,2,6,6-tetramethylcyclohex-3-en-1-yl)ethanone
InChI:
InChI=1S/C16H28O2/c1-7-8-9-18-13-10-15(3,4)14(12(2)17)16(5,6)11-13/h10,14H,7-9,11H2,1-6H3
InChI Key:
CEFRLRCVISSIDU-UHFFFAOYSA-N
SMILES:
CCCCOC1=CC(C(C(C1)(C)C)C(=O)C)(C)C
EC Number:
240-622-1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.398g/mol
Monoisotopic Mass:
252.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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