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121723-05-5 | Heptadecane, 5,9-dimethyl-, (5S,9R)-
CAS No: 121723-05-5 Catalog No: AG0015MK MDL No:
Product Description
Catalog Number:
AG0015MK
Chemical Name:
Heptadecane, 5,9-dimethyl-, (5S,9R)-
CAS Number:
121723-05-5
Molecular Formula:
C19H40
Molecular Weight:
268.5209
IUPAC Name:
(5S,9R)-5,9-dimethylheptadecane
InChI:
InChI=1S/C19H40/c1-5-7-9-10-11-12-15-19(4)17-13-16-18(3)14-8-6-2/h18-19H,5-17H2,1-4H3/t18-,19+/m0/s1
InChI Key:
NAZZVMQIBMVGND-RBUKOAKNSA-N
SMILES:
CCCCCCCC[C@H](CCC[C@H](CCCC)C)C
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
268.313g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.529g/mol
Monoisotopic Mass:
268.313g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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