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183561-99-1 | Benzene, 1,2,3,4,5,6-hexakis[2-[4-[(6-methoxyhexyl)oxy]phenyl]ethyl]-
CAS No: 183561-99-1 Catalog No: AG0027OT MDL No:
Product Description
Catalog Number:
AG0027OT
Chemical Name:
Benzene, 1,2,3,4,5,6-hexakis[2-[4-[(6-methoxyhexyl)oxy]phenyl]ethyl]-
CAS Number:
183561-99-1
Molecular Formula:
C96H138O12
Molecular Weight:
1484.1157
IUPAC Name:
1,2,3,4,5,6-hexakis[2-[4-(6-methoxyhexoxy)phenyl]ethyl]benzene
InChI:
InChI=1S/C96H138O12/c1-97-67-19-7-13-25-73-103-85-49-31-79(32-50-85)43-61-91-92(62-44-80-33-51-86(52-34-80)104-74-26-14-8-20-68-98-2)94(64-46-82-37-55-88(56-38-82)106-76-28-16-10-22-70-100-4)96(66-48-84-41-59-90(60-42-84)108-78-30-18-12-24-72-102-6)95(65-47-83-39-57-89(58-40-83)107-77-29-17-11-23-71-101-5)93(91)63-45-81-35-53-87(54-36-81)105-75-27-15-9-21-69-99-3/h31-42,49-60H,7-30,43-48,61-78H2,1-6H3
InChI Key:
HNOHIHPHSPAWTK-UHFFFAOYSA-N
SMILES:
COCCCCCCOc1ccc(cc1)CCc1c(CCc2ccc(cc2)OCCCCCCOC)c(CCc2ccc(cc2)OCCCCCCOC)c(c(c1CCc1ccc(cc1)OCCCCCCOC)CCc1ccc(cc1)OCCCCCCOC)CCc1ccc(cc1)OCCCCCCOC
Properties
Complexity:
1600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1484.022g/mol
Formal Charge:
0
Heavy Atom Count:
108
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1484.148g/mol
Monoisotopic Mass:
1483.019g/mol
Rotatable Bond Count:
66
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
22.7
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