Basic information
- Standard SMILES
CC(C)(C)CC(C)(C)C1CCC(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)CC1- InChIKey
YDSUYHFGCIBPJT-UHFFFAOYSA-N- Molecular formula
- C44H88O16
- Average molar mass
- 873.2 g/mol
- Monoisotopic mass
- 872.60723674
Names & identifiers
- Preferred name
- Triton X-100R.15
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Names & synonyms
Triton X-100R.15DTXSID00101842644-{[4-(2,4,4-Trimethylpentan-2-yl)cyclohexyl]oxy}-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol
Database identifiers
- PubChem CID
- 154735188
- DTXSID
DTXSID001018426
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 48
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 857
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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