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2497-59-8 | 3,6,9,12,15,18-Hexaoxaeicosan-1-ol, 20-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-
CAS No: 2497-59-8 Catalog No: AG002Q1C MDL No:
Product Description
Catalog Number:
AG002Q1C
Chemical Name:
3,6,9,12,15,18-Hexaoxaeicosan-1-ol, 20-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-
CAS Number:
2497-59-8
Molecular Formula:
C28H50O8
Molecular Weight:
514.6918
IUPAC Name:
2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
InChI:
InChI=1S/C28H50O8/c1-27(2,3)24-28(4,5)25-6-8-26(9-7-25)36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29/h6-9,29H,10-24H2,1-5H3
InChI Key:
HNLXNOZHXNSSPN-UHFFFAOYSA-N
SMILES:
OCCOCCOCCOCCOCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C
EC Number:
219-682-8
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.351g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
514.7g/mol
Monoisotopic Mass:
514.351g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
84.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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