Basic information
- Standard SMILES
CC(C)(C)CC(C)(C)C1CCC(OCCOCCO)CC1- InChIKey
PNAKTNFERWFEIX-UHFFFAOYSA-N- Molecular formula
- C18H36O3
- Average molar mass
- 300.5 g/mol
- Monoisotopic mass
- 300.26644501
Names & identifiers
- Preferred name
- Triton X-100R.2
- IUPAC
- 2-[2-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]oxyethoxy]ethanol
Names & synonyms
Triton X-100R.2DTXSID8010184202-(2-{[4-(2,4,4-Trimethylpentan-2-yl)cyclohexyl]oxy}ethoxy)ethan-1-ol
Database identifiers
- PubChem CID
- 4027936
- DTXSID
DTXSID801018420
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…