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117384-40-4 | 1,3-Cyclotetradecanedione, 2-tetradecyl-
CAS No: 117384-40-4 Catalog No: AG000E6W MDL No:
Product Description
Catalog Number:
AG000E6W
Chemical Name:
1,3-Cyclotetradecanedione, 2-tetradecyl-
CAS Number:
117384-40-4
Molecular Formula:
C28H52O2
Molecular Weight:
420.7113
IUPAC Name:
2-tetradecylcyclotetradecane-1,3-dione
InChI:
InChI=1S/C28H52O2/c1-2-3-4-5-6-7-8-9-11-14-17-20-23-26-27(29)24-21-18-15-12-10-13-16-19-22-25-28(26)30/h26H,2-25H2,1H3
InChI Key:
GYQBCEGPNBEPRR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC1C(=O)CCCCCCCCCCCC1=O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.397g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
420.722g/mol
Monoisotopic Mass:
420.397g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6
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