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89635-91-6 | 1-Propanol, 2-(dodecyloxy)-3-(octadecyloxy)-, (S)-
CAS No: 89635-91-6 Catalog No: AG003W5F MDL No:
Product Description
Catalog Number:
AG003W5F
Chemical Name:
1-Propanol, 2-(dodecyloxy)-3-(octadecyloxy)-, (S)-
CAS Number:
89635-91-6
Molecular Formula:
C33H68O3
Molecular Weight:
512.8912
IUPAC Name:
2-dodecoxy-3-octadecoxypropan-1-ol
InChI:
InChI=1S/C33H68O3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-35-32-33(31-34)36-30-28-26-24-22-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3
InChI Key:
AVVWXNTZTAAWSI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC[C@@H](OCCCCCCCCCCCC)CO
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
512.517g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
512.904g/mol
Monoisotopic Mass:
512.517g/mol
Rotatable Bond Count:
32
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
13.7
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