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130676-64-1 | 2H-Pyran-2-one, 3-hexyl-5,6-dihydro-6-undecyl-, (S)- (9CI)
CAS No: 130676-64-1 Catalog No: AG000USQ MDL No:
Product Description
Catalog Number:
AG000USQ
Chemical Name:
2H-Pyran-2-one, 3-hexyl-5,6-dihydro-6-undecyl-, (S)- (9CI)
CAS Number:
130676-64-1
Molecular Formula:
C22H40O2
Molecular Weight:
336.5518
IUPAC Name:
(2S)-5-hexyl-2-undecyl-2,3-dihydropyran-6-one
InChI:
InChI=1S/C22H40O2/c1-3-5-7-9-10-11-12-13-15-17-21-19-18-20(22(23)24-21)16-14-8-6-4-2/h18,21H,3-17,19H2,1-2H3/t21-/m0/s1
InChI Key:
PNTFVBMYNOKWQP-NRFANRHFSA-N
SMILES:
CCCCCCCCCCC[C@H]1CC=C(C(=O)O1)CCCCCC
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
336.303g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.56g/mol
Monoisotopic Mass:
336.303g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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