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113405-68-8 | 3-Penten-1-one, 1-(2,6-diethyl-2-methylcyclohexenyl)-4-methyl- (9CI)
CAS No: 113405-68-8 Catalog No: AG0008HH MDL No:
Product Description
Catalog Number:
AG0008HH
Chemical Name:
3-Penten-1-one, 1-(2,6-diethyl-2-methylcyclohexenyl)-4-methyl- (9CI)
CAS Number:
113405-68-8
Molecular Formula:
C17H28O
Molecular Weight:
248.4036
IUPAC Name:
1-(2,6-diethyl-6-methylcyclohexen-1-yl)-4-methylpent-3-en-1-one
InChI:
InChI=1S/C17H28O/c1-6-14-9-8-12-17(5,7-2)16(14)15(18)11-10-13(3)4/h10H,6-9,11-12H2,1-5H3
InChI Key:
QLDBEELTHLBOAP-UHFFFAOYSA-N
SMILES:
CCC1=C(C(=O)CC=C(C)C)C(CCC1)(C)CC
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.214g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.41g/mol
Monoisotopic Mass:
248.214g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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