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89752-04-5 | 1,5-Pentanediol, 1,5-bis(dodecyloxy)-
CAS No: 89752-04-5 Catalog No: AG0040MV MDL No:
Product Description
Catalog Number:
AG0040MV
Chemical Name:
1,5-Pentanediol, 1,5-bis(dodecyloxy)-
CAS Number:
89752-04-5
Molecular Formula:
C29H60O4
Molecular Weight:
472.7843
IUPAC Name:
1,5-didodecoxypentane-1,5-diol
InChI:
InChI=1S/C29H60O4/c1-3-5-7-9-11-13-15-17-19-21-26-32-28(30)24-23-25-29(31)33-27-22-20-18-16-14-12-10-8-6-4-2/h28-31H,3-27H2,1-2H3
InChI Key:
CSESHNLHUPCETH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(CCCC(OCCCCCCCCCCCC)O)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.449g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
472.795g/mol
Monoisotopic Mass:
472.449g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
11.1
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