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114644-60-9 | 1-Butanone, 1-cyclododecyl-3-methyl-
CAS No: 114644-60-9 Catalog No: AG000EXM MDL No:
Product Description
Catalog Number:
AG000EXM
Chemical Name:
1-Butanone, 1-cyclododecyl-3-methyl-
CAS Number:
114644-60-9
Molecular Formula:
C17H32O
Molecular Weight:
252.4354
IUPAC Name:
1-cyclododecyl-3-methylbutan-1-one
InChI:
InChI=1S/C17H32O/c1-15(2)14-17(18)16-12-10-8-6-4-3-5-7-9-11-13-16/h15-16H,3-14H2,1-2H3
InChI Key:
JLFDJCSUZUHXSO-UHFFFAOYSA-N
SMILES:
CC(CC(=O)C1CCCCCCCCCCC1)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.245g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.442g/mol
Monoisotopic Mass:
252.245g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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