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82002-20-8 | 2-Propanol, 1-(hexadecyloxy)-3-(triphenylmethoxy)-
CAS No: 82002-20-8 Catalog No: AG005EPK MDL No:MFCD11044964
Product Description
Catalog Number:
AG005EPK
Chemical Name:
2-Propanol, 1-(hexadecyloxy)-3-(triphenylmethoxy)-
CAS Number:
82002-20-8
Molecular Formula:
C38H54O3
Molecular Weight:
558.8336
MDL Number:
MFCD11044964
IUPAC Name:
1-hexadecoxy-3-trityloxypropan-2-ol
InChI:
InChI=1S/C38H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-40-32-37(39)33-41-38(34-25-18-15-19-26-34,35-27-20-16-21-28-35)36-29-22-17-23-30-36/h15-23,25-30,37,39H,2-14,24,31-33H2,1H3
InChI Key:
DYABJLMZPKIOLY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)O
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.407g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
558.847g/mol
Monoisotopic Mass:
558.407g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.7
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