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13786-90-8 | 4,8-Cyclododecadien-1-one, 4,8,12-trimethyl-
CAS No: 13786-90-8 Catalog No: AG0013Z7 MDL No:
Product Description
Catalog Number:
AG0013Z7
Chemical Name:
4,8-Cyclododecadien-1-one, 4,8,12-trimethyl-
CAS Number:
13786-90-8
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
(4Z,8Z)-4,8,12-trimethylcyclododeca-4,8-dien-1-one
InChI:
InChI=1S/C15H24O/c1-12-6-4-7-13(2)10-11-15(16)14(3)9-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8-,13-7-
InChI Key:
RWVATVBAGFDQQL-SVGXSMIJSA-N
SMILES:
CC1=CCCC(=CCCC(C(=O)CC1)C)C
EC Number:
237-445-7
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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