Basic information
- CAS
2497-58-7- Standard SMILES
CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCO)cc1- InChIKey
SQAUJCLQNBQZMT-UHFFFAOYSA-N- Molecular formula
- C26H46O7
- Average molar mass
- 470.6 g/mol
- Monoisotopic mass
- 470.32435381
Names & identifiers
- Preferred name
- 3,6,9,12,15-Pentaoxaheptadecan-1-ol, 17-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-
- IUPAC
- 2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
- English name
- Hexaethyleneglycol4-isooctylphenylether
- Molecular formula
- C26H46O7
- Molecular weight
- 470.64
Names & synonyms
Triton X-100.62497-58-73,6,9,12,15-Pentaoxaheptadecan-1-ol, 17-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15-Pentaoxaheptadecan-1-ol, 17-(4-(1,1,3,3-tetramethylbutyl)phenoxy)-17-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3,6,9,12,15-pentaoxaheptadecan-1-olDTXSID0062470SCHEMBL2935989217-(p-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15-pentaoxaheptadecan-1-ol3,6,9,12,15-Pentaoxaheptadecan-1-ol, 17-(p-(1,1,3,3-tetramethylbutyl)phenoxy)-Hexaethyleneglycol4-isooctylphenylether
Database identifiers
- CAS
2497-58-7- PubChem CID
- 17245
- DTXSID
DTXSID0062470- Nikkaji
- J878.302K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 21
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 442
Physicochemical properties
- EPA Substance Registry System
- 3 · 3,6,9,12,15-Pentaoxaheptadecan-1-ol, 17-[4-(1,1,3,3-tetramethylbutyl)phenoxy]- (2497-58-7)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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