Also known as:
2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol, Chebi:44817, 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, Q27120584
Molecular Formula
C55H112O28
Molecular Weight
1221.5 g/mol
InChI Key
ISGUIIHZEJGUGQ-UHFFFAOYSA-N
2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
2.1.2 InChI
InChI=1S/C55H112O28/c1-57-4-5-59-8-9-61-12-13-63-16-17-65-20-21-67-24-25-69-28-29-71-32-33-73-36-37-75-40-41-77-44-45-79-48-49-81-52-53-83-55-54-82-51-50-80-47-46-78-43-42-76-39-38-74-35-34-72-31-30-70-27-26-68-23-22-66-19-18-64-15-14-62-11-10-60-7-6-58-3-2-56/h56H,2-55H2,1H3
2.1.3 InChI Key
ISGUIIHZEJGUGQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms
1. 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol
2. Chebi:44817
3. 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
4. Q27120584
2.3 Create Date
3 Chemical and Physical Properties
Molecular Weight |
1221.5 g/mol |
Molecular Formula |
C55H112O28
|
XLogP3 | -4.4 |
---|
Hydrogen Bond Donor Count | 1 |
---|
Hydrogen Bond Acceptor Count | 28 |
---|
Rotatable Bond Count | 80 |
---|
Exact Mass | 1220.73401291 g/mol |
---|
Monoisotopic Mass | 1220.73401291 g/mol |
---|
Topological Polar Surface Area | 269 Ų |
---|
Heavy Atom Count | 83 |
---|
Formal Charge | 0 |
---|
Complexity | 1070 |
---|
Isotope Atom Count | 0 |
---|
Defined Atom Stereocenter Count | 0 |
---|
Undefined Atom Stereocenter Count | 0 |
---|
Defined Bond Stereocenter Count | 0 |
---|
Undefined Bond Stereocenter Count | 0 |
---|
Covalently Bonded Unit Count | 1 |