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13786-80-6 | Cyclododecanone, 2,6,10-trimethyl-
CAS No: 13786-80-6 Catalog No: AG0013Z8 MDL No:
Product Description
Catalog Number:
AG0013Z8
Chemical Name:
Cyclododecanone, 2,6,10-trimethyl-
CAS Number:
13786-80-6
Molecular Formula:
C15H28O
Molecular Weight:
224.3822
IUPAC Name:
2,6,10-trimethylcyclododecan-1-one
InChI:
InChI=1S/C15H28O/c1-12-6-4-7-13(2)10-11-15(16)14(3)9-5-8-12/h12-14H,4-11H2,1-3H3
InChI Key:
HSQWMKJHYFHGPJ-UHFFFAOYSA-N
SMILES:
CC1CCCC(C)CCCC(C(=O)CC1)C
EC Number:
237-444-1
Properties
Complexity:
210
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:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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