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89208-24-2 | Hexanedioic acid, 3-(1,1,3-trimethylbutyl)-, bis(6-hydroxyhexyl) ester
CAS No: 89208-24-2 Catalog No: AG004646 MDL No:
Product Description
Catalog Number:
AG004646
Chemical Name:
Hexanedioic acid, 3-(1,1,3-trimethylbutyl)-, bis(6-hydroxyhexyl) ester
CAS Number:
89208-24-2
Molecular Formula:
C25H48O6
Molecular Weight:
444.6450
IUPAC Name:
bis(6-hydroxyhexyl) 3-(2,4-dimethylpentan-2-yl)hexanedioate
InChI:
InChI=1S/C25H48O6/c1-21(2)20-25(3,4)22(19-24(29)31-18-12-8-6-10-16-27)13-14-23(28)30-17-11-7-5-9-15-26/h21-22,26-27H,5-20H2,1-4H3
InChI Key:
STXRSXPOUMPSCZ-UHFFFAOYSA-N
SMILES:
OCCCCCCOC(=O)CCC(C(CC(C)C)(C)C)CC(=O)OCCCCCCO
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.345g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.653g/mol
Monoisotopic Mass:
444.345g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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