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Home > Other Building Blocks > 89360-46-3
89360-46-3 | 3,6,9,12-Tetraoxatetradecan-1-ol, pentamethyl-14-(3-methylphenoxy)-
CAS No: 89360-46-3 Catalog No: AG003X5M MDL No:
Product Description
Catalog Number:
AG003X5M
Chemical Name:
3,6,9,12-Tetraoxatetradecan-1-ol, pentamethyl-14-(3-methylphenoxy)-
CAS Number:
89360-46-3
Molecular Formula:
C22H38O6
Molecular Weight:
398.5335
IUPAC Name:
2,3-dimethyl-3-[1-[2-[2-[2-(3-methylphenoxy)ethoxy]ethoxy]ethoxy]propan-2-yloxy]butan-2-ol
InChI:
InChI=1S/C22H38O6/c1-18-8-7-9-20(16-18)27-15-14-25-11-10-24-12-13-26-17-19(2)28-22(5,6)21(3,4)23/h7-9,16,19,23H,10-15,17H2,1-6H3
InChI Key:
NIYYWPBGZHLKEP-UHFFFAOYSA-N
SMILES:
CC(OC(C(O)(C)C)(C)C)COCCOCCOCCOc1cccc(c1)C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.267g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.54g/mol
Monoisotopic Mass:
398.267g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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